(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride

C10H14Cl2N2O — CID 119262061

IUPAC(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1cccc(Cl)c1.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-2-9(12)10(14)13-8-5-3-4-7(11)6-8;/h3-6,9H,2,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyKZROZCZPLVJKQM-FVGYRXGTSA-N
MW249.14 g/mol
LogP2.44
Rot. Bonds3

About (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride

(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride (PubChem CID 119262061) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
PubChem CID119262061
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1cccc(Cl)c1.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-2-9(12)10(14)13-8-5-3-4-7(11)6-8;/h3-6,9H,2,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyKZROZCZPLVJKQM-FVGYRXGTSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
2-bromo-N-(3-chlorophenyl)pentanamide
CID 19256824
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride (CID 119262061) is (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride is CC[C@H](N)C(=O)Nc1cccc(Cl)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride?
The InChIKey is KZROZCZPLVJKQM-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13ClN2O.ClH/c1-2-9(12)10(14)13-8-5-3-4-7(11)6-8;/h3-6,9H,2,12H2,1H3,(H,13,14);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride?
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119262061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).