N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide

C29H25FN2O2 — CID 46045890

IUPACN-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C29H25FN2O2/c30-26-13-7-10-24(18-26)21-32(29(34)25-11-5-2-6-12-25)27-16-14-22(15-17-27)19-28(33)31-20-23-8-3-1-4-9-23/h1-18H,19-21H2,(H,31,33)
InChIKeyQHDRLOXSULSAQO-UHFFFAOYSA-N
MW452.53 g/mol
LogP5.53
Rot. Bonds8

About N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide

N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 46045890) has the molecular formula C29H25FN2O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID46045890
Molecular FormulaC29H25FN2O2
Molecular Weight452.53 g/mol
Exact Mass452.19
IUPAC NameN-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C29H25FN2O2/c30-26-13-7-10-24(18-26)21-32(29(34)25-11-5-2-6-12-25)27-16-14-22(15-17-27)19-28(33)31-20-23-8-3-1-4-9-23/h1-18H,19-21H2,(H,31,33)
InChIKeyQHDRLOXSULSAQO-UHFFFAOYSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
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
(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46046274
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-methylbutanamide
CID 46046236
N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 42859312
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46045951
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93329337
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]benzamide
CID 46046401
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide (CID 46045890) is N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide is O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1)NCc1ccccc1.
What is the InChIKey of N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is QHDRLOXSULSAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O2/c30-26-13-7-10-24(18-26)21-32(29(34)25-11-5-2-6-12-25)27-16-14-22(15-17-27)19-28(33)31-20-23-8-3-1-4-9-23/h1-18H,19-21H2,(H,31,33).
What are the key properties of N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide?
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 452.53 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 46045890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).