4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride

C13H20Cl2N2O — CID 120559119

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(15)6-7-13(17)16-10(2)11-4-3-5-12(14)8-11;/h3-5,8-10H,6-7,15H2,1-2H3,(H,16,17);1H
InChIKeyFNKWPFMAKIJVIA-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.07
Rot. Bonds5

About 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride

4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride (PubChem CID 120559119) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
PubChem CID120559119
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(15)6-7-13(17)16-10(2)11-4-3-5-12(14)8-11;/h3-5,8-10H,6-7,15H2,1-2H3,(H,16,17);1H
InChIKeyFNKWPFMAKIJVIA-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide
CID 81371649
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
CID 120560763
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride (CID 120559119) is 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride is CC(N)CCC(=O)NC(C)c1cccc(Cl)c1.Cl.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride?
The InChIKey is FNKWPFMAKIJVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-9(15)6-7-13(17)16-10(2)11-4-3-5-12(14)8-11;/h3-5,8-10H,6-7,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride?
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120559119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).