2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide

C14H21ClN2O — CID 119330329

IUPAC2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
SMILESCCCC(N)C(=O)NC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-6-12(16)13(18)17-14(2,3)10-7-5-8-11(15)9-10/h5,7-9,12H,4,6,16H2,1-3H3,(H,17,18)
InChIKeyFDWXRNFVLSCNQL-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.82
Rot. Bonds5

About 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide

2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide (PubChem CID 119330329) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
PubChem CID119330329
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
SMILESCCCC(N)C(=O)NC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-6-12(16)13(18)17-14(2,3)10-7-5-8-11(15)9-10/h5,7-9,12H,4,6,16H2,1-3H3,(H,17,18)
InChIKeyFDWXRNFVLSCNQL-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069
2-amino-N-[2-(4-ethylphenyl)propan-2-yl]pentanamide
CID 119337742
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
CID 119339882
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119951812

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide?
The IUPAC name of 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide (CID 119330329) is 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide is CCCC(N)C(=O)NC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide?
The InChIKey is FDWXRNFVLSCNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-6-12(16)13(18)17-14(2,3)10-7-5-8-11(15)9-10/h5,7-9,12H,4,6,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide?
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide has a molecular weight of 268.79 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide is sourced from PubChem (CID 119330329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).