N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide

C22H18ClFN2O2 — CID 24900235

IUPACN-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
InChIKeyGDLSKBDRIIJEHF-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.11
Rot. Bonds6

About N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 24900235) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID24900235
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC NameN-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
InChIKeyGDLSKBDRIIJEHF-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dnk 333
CID 9939040
Ssr-504734
CID 9954540
Z944
CID 44540045
Jnj-63533054
CID 2548547
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
N-methyl-SSR504734
CID 11704260
m-Chlorobenzylamide, 2
CID 44237081
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
N-(2-amino-2-oxoethyl)-4-chlorobenzamide
CID 350021

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide (CID 24900235) is N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is GDLSKBDRIIJEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 396.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 24900235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).