2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride

C14H22Cl2N2O — CID 119285536

IUPAC2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(CC)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-3-6-12(16)14(18)17-13(4-2)10-7-5-8-11(15)9-10;/h5,7-9,12-13H,3-4,6,16H2,1-2H3,(H,17,18);1H
InChIKeyGJKJVHKBQCZPKO-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.46
Rot. Bonds6

About 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride

2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride (PubChem CID 119285536) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
PubChem CID119285536
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(CC)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-3-6-12(16)14(18)17-13(4-2)10-7-5-8-11(15)9-10;/h5,7-9,12-13H,3-4,6,16H2,1-2H3,(H,17,18);1H
InChIKeyGJKJVHKBQCZPKO-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
CID 64896597
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
2-amino-N-[1-(4-methoxyphenyl)propyl]pentanamide;hydrochloride
CID 119271194
2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119820004
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride (CID 119285536) is 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(CC)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride?
The InChIKey is GJKJVHKBQCZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-3-6-12(16)14(18)17-13(4-2)10-7-5-8-11(15)9-10;/h5,7-9,12-13H,3-4,6,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride?
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119285536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).