2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide

C18H21ClN2O — CID 119271036

IUPAC2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-2-6-16(20)18(22)21-17(13-7-4-3-5-8-13)14-9-11-15(19)12-10-14/h3-5,7-12,16-17H,2,6,20H2,1H3,(H,21,22)
InChIKeyJFZZXLORRICHTM-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.67
Rot. Bonds6

About 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide

2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide (PubChem CID 119271036) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
PubChem CID119271036
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-2-6-16(20)18(22)21-17(13-7-4-3-5-8-13)14-9-11-15(19)12-10-14/h3-5,7-12,16-17H,2,6,20H2,1H3,(H,21,22)
InChIKeyJFZZXLORRICHTM-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride
CID 119318972
2-amino-N-(1,1-diphenylpropan-2-yl)pentanamide
CID 119285600
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
CID 15692489
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide (CID 119271036) is 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide is CCCC(N)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide?
The InChIKey is JFZZXLORRICHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-6-16(20)18(22)21-17(13-7-4-3-5-8-13)14-9-11-15(19)12-10-14/h3-5,7-12,16-17H,2,6,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide?
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide has a molecular weight of 316.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide is sourced from PubChem (CID 119271036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).