N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide

C30H26F2N2O2 — CID 46046244

IUPACN-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C30H26F2N2O2/c1-21-5-11-25(12-6-21)30(36)34(20-24-3-2-4-27(32)17-24)28-15-9-22(10-16-28)18-29(35)33-19-23-7-13-26(31)14-8-23/h2-17H,18-20H2,1H3,(H,33,35)
InChIKeySTGBHWVEPIDAJM-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.98
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide

N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide (PubChem CID 46046244) has the molecular formula C30H26F2N2O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
PubChem CID46046244
Molecular FormulaC30H26F2N2O2
Molecular Weight484.55 g/mol
Exact Mass484.20
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C30H26F2N2O2/c1-21-5-11-25(12-6-21)30(36)34(20-24-3-2-4-27(32)17-24)28-15-9-22(10-16-28)18-29(35)33-19-23-7-13-26(31)14-8-23/h2-17H,18-20H2,1H3,(H,33,35)
InChIKeySTGBHWVEPIDAJM-UHFFFAOYSA-N
XLogP5.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-methylbutanamide
CID 46046236
N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
CID 46052597
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046328
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46046274
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 71957999
N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 46046079
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46052590
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46045951

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide (CID 46046244) is N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide?
The InChIKey is STGBHWVEPIDAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N2O2/c1-21-5-11-25(12-6-21)30(36)34(20-24-3-2-4-27(32)17-24)28-15-9-22(10-16-28)18-29(35)33-19-23-7-13-26(31)14-8-23/h2-17H,18-20H2,1H3,(H,33,35).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide?
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide has a molecular weight of 484.55 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 46046244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).