2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide

C22H21ClN2O — CID 8545779

IUPAC2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O/c23-20-13-11-17(12-14-20)15-24-21(26)16-25-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22,25H,15-16H2,(H,24,26)
InChIKeyVOHMKUKBMWFABH-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.34
Rot. Bonds7

About 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide

2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 8545779) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID8545779
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O/c23-20-13-11-17(12-14-20)15-24-21(26)16-25-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22,25H,15-16H2,(H,24,26)
InChIKeyVOHMKUKBMWFABH-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756176
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
2-[[2-(benzhydrylamino)acetyl]amino]acetamide
CID 8596592
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
CID 19165627
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide (CID 8545779) is 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide is O=C(CNC(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is VOHMKUKBMWFABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-20-13-11-17(12-14-20)15-24-21(26)16-25-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22,25H,15-16H2,(H,24,26).
What are the key properties of 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide?
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 364.88 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 8545779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).