N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide

C120H107F16N9O9S — CID 161189207

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)cc2)CC1.CS(=O)(=O)c1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)nc1.[C-]#[N+]c1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H31F2N3O.C23H19F5N2O2.C23H18F5NO2.C23H18F2N2O.C23H21F2NO3S/c1-32-16-18-33(19-17-32)20-21-2-4-24(5-3-21)28(34)31-15-14-27(22-6-10-25(29)11-7-22)23-8-12-26(30)13-9-23;24-18-6-1-15(2-7-18)20(16-3-8-19(25)9-4-16)11-12-29-22(31)17-5-10-21(30-13-17)32-14-23(26,27)28;24-18-7-1-15(2-8-18)21(16-3-9-19(25)10-4-16)13-14-29-22(30)17-5-11-20(12-6-17)31-23(26,27)28;1-26-21-12-6-18(7-13-21)23(28)27-15-14-22(16-2-8-19(24)9-3-16)17-4-10-20(25)11-5-17;1-30(28,29)21-12-6-18(7-13-21)23(27)26-15-14-22(16-2-8-19(24)9-3-16)17-4-10-20(25)11-5-17/h2-13,27H,14-20H2,1H3,(H,31,34);1-10,13,20H,11-12,14H2,(H,29,31);1-12,21H,13-14H2,(H,29,30);2-13,22H,14-15H2,(H,27,28);2-13,22H,14-15H2,1H3,(H,26,27)
InChIKeyUTMIUSQKLSRIKV-UHFFFAOYSA-N
MW2155.26 g/mol
LogP25.52
Rot. Bonds36

About N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide

N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide (PubChem CID 161189207) has the molecular formula C120H107F16N9O9S and a molecular weight of 2155.26 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide
PubChem CID161189207
Molecular FormulaC120H107F16N9O9S
Molecular Weight2155.26 g/mol
Exact Mass2153.77
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)cc2)CC1.CS(=O)(=O)c1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)nc1.[C-]#[N+]c1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H31F2N3O.C23H19F5N2O2.C23H18F5NO2.C23H18F2N2O.C23H21F2NO3S/c1-32-16-18-33(19-17-32)20-21-2-4-24(5-3-21)28(34)31-15-14-27(22-6-10-25(29)11-7-22)23-8-12-26(30)13-9-23;24-18-6-1-15(2-7-18)20(16-3-8-19(25)9-4-16)11-12-29-22(31)17-5-10-21(30-13-17)32-14-23(26,27)28;24-18-7-1-15(2-8-18)21(16-3-9-19(25)10-4-16)13-14-29-22(30)17-5-11-20(12-6-17)31-23(26,27)28;1-26-21-12-6-18(7-13-21)23(28)27-15-14-22(16-2-8-19(24)9-3-16)17-4-10-20(25)11-5-17;1-30(28,29)21-12-6-18(7-13-21)23(27)26-15-14-22(16-2-8-19(24)9-3-16)17-4-10-20(25)11-5-17/h2-13,27H,14-20H2,1H3,(H,31,34);1-10,13,20H,11-12,14H2,(H,29,31);1-12,21H,13-14H2,(H,29,30);2-13,22H,14-15H2,(H,27,28);2-13,22H,14-15H2,1H3,(H,26,27)
InChIKeyUTMIUSQKLSRIKV-UHFFFAOYSA-N
XLogP25.52
TPSA221.83 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002155.26
LogP ≤ 525.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide (CID 161189207) is N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide is CN1CCN(Cc2ccc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)cc2)CC1.CS(=O)(=O)c1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)nc1.[C-]#[N+]c1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is UTMIUSQKLSRIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N3O.C23H19F5N2O2.C23H18F5NO2.C23H18F2N2O.C23H21F2NO3S/c1-32-16-18-33(19-17-32)20-21-2-4-24(5-3-21)28(34)31-15-14-27(22-6-10-25(29)11-7-22)23-8-12-26(30)13-9-23;24-18-6-1-15(2-7-18)20(16-3-8-19(25)9-4-16)11-12-29-22(31)17-5-10-21(30-13-17)32-14-23(26,27)28;24-18-7-1-15(2-8-18)21(16-3-9-19(25)10-4-16)13-14-29-22(30)17-5-11-20(12-6-17)31-23(26,27)28;1-26-21-12-6-18(7-13-21)23(28)27-15-14-22(16-2-8-19(24)9-3-16)17-4-10-20(25)11-5-17;1-30(28,29)21-12-6-18(7-13-21)23(27)26-15-14-22(16-2-8-19(24)9-3-16)17-4-10-20(25)11-5-17/h2-13,27H,14-20H2,1H3,(H,31,34);1-10,13,20H,11-12,14H2,(H,29,31);1-12,21H,13-14H2,(H,29,30);2-13,22H,14-15H2,(H,27,28);2-13,22H,14-15H2,1H3,(H,26,27).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide?
N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 2155.26 g/mol, XLogP of 25.52, 36 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 161189207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).