3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide

C16H17ClN2O — CID 43208733

IUPAC3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c17-14-8-6-12(7-9-14)11-19-16(20)10-15(18)13-4-2-1-3-5-13/h1-9,15H,10-11,18H2,(H,19,20)
InChIKeyOMWJWNCVFYRHAP-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.05
Rot. Bonds5

About 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide

3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide (PubChem CID 43208733) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
PubChem CID43208733
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c17-14-8-6-12(7-9-14)11-19-16(20)10-15(18)13-4-2-1-3-5-13/h1-9,15H,10-11,18H2,(H,19,20)
InChIKeyOMWJWNCVFYRHAP-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770
3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114181945
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 8545779
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 119949149
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953020
N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide (CID 43208733) is 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide is NC(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is OMWJWNCVFYRHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-14-8-6-12(7-9-14)11-19-16(20)10-15(18)13-4-2-1-3-5-13/h1-9,15H,10-11,18H2,(H,19,20).
What are the key properties of 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide?
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 288.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 43208733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).