N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide

C19H21ClN2O2 — CID 110625359

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-14(16-5-3-2-4-6-16)11-18(23)22-13-19(24)21-12-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyIECPAVNRZRJDIW-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide (PubChem CID 110625359) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
PubChem CID110625359
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-14(16-5-3-2-4-6-16)11-18(23)22-13-19(24)21-12-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyIECPAVNRZRJDIW-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.27
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-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
CID 78810531
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 8545779
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide (CID 110625359) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide is CC(CC(=O)NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide?
The InChIKey is IECPAVNRZRJDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(16-5-3-2-4-6-16)11-18(23)22-13-19(24)21-12-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide has a molecular weight of 344.84 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide is sourced from PubChem (CID 110625359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).