5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide

C26H24ClF5N2O — CID 87542288

IUPAC5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide
SMILESCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(C)cc1)Cc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C26H24ClF5N2O/c1-17-3-5-18(6-4-17)13-14-34(24(35)22-15-21(27)11-12-23(22)33-2)16-19-7-9-20(10-8-19)25(28,29)26(30,31)32/h3-12,15,33H,13-14,16H2,1-2H3
InChIKeyDJZDRFXIXOOIAY-UHFFFAOYSA-N
MW510.93 g/mol
LogP7.23
Rot. Bonds8

About 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide

5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide (PubChem CID 87542288) has the molecular formula C26H24ClF5N2O and a molecular weight of 510.93 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide
PubChem CID87542288
Molecular FormulaC26H24ClF5N2O
Molecular Weight510.93 g/mol
Exact Mass510.15
IUPAC Name5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide
SMILESCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(C)cc1)Cc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C26H24ClF5N2O/c1-17-3-5-18(6-4-17)13-14-34(24(35)22-15-21(27)11-12-23(22)33-2)16-19-7-9-20(10-8-19)25(28,29)26(30,31)32/h3-12,15,33H,13-14,16H2,1-2H3
InChIKeyDJZDRFXIXOOIAY-UHFFFAOYSA-N
XLogP7.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.93
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 68702574
6-chloro-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]pyridine-2-carboxamide
CID 91453050
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-(methylamino)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzamide
CID 68699722
N-[(4-tert-butylphenyl)methyl]-5-chloro-2-(methylamino)-N-(2-naphthalen-2-ylethyl)benzamide
CID 68701100
2-chloro-N-[2-(4-chlorophenyl)ethyl]-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-5-(methylamino)pyridine-4-carboxamide
CID 87542625
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405
5-chloro-N-[2-(4-chlorophenyl)ethyl]-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-2-(methylamino)pyridine-3-carboxamide
CID 87542080
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-(cyanomethylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87542775
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-2-(methylamino)pyridine-3-carboxamide
CID 87542554
ethyl 2-[4-chloro-2-[2-(4-fluorophenyl)ethyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]anilino]acetate
CID 68696028
6-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-3-(methylamino)pyridine-2-carboxamide
CID 91020396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide (CID 87542288) is 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide is CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(C)cc1)Cc1ccc(C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide?
The InChIKey is DJZDRFXIXOOIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF5N2O/c1-17-3-5-18(6-4-17)13-14-34(24(35)22-15-21(27)11-12-23(22)33-2)16-19-7-9-20(10-8-19)25(28,29)26(30,31)32/h3-12,15,33H,13-14,16H2,1-2H3.
What are the key properties of 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide?
5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide has a molecular weight of 510.93 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 87542288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).