(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride

C10H13Cl2FN2O — CID 119281097

IUPAC(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(Cl)c(F)c1.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-2-9(13)10(15)14-6-3-4-7(11)8(12)5-6;/h3-5,9H,2,13H2,1H3,(H,14,15);1H/t9-;/m0./s1
InChIKeyNPOZGLLHIYKZJS-FVGYRXGTSA-N
MW267.13 g/mol
LogP2.58
Rot. Bonds3

About (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride

(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride (PubChem CID 119281097) has the molecular formula C10H13Cl2FN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
PubChem CID119281097
Molecular FormulaC10H13Cl2FN2O
Molecular Weight267.13 g/mol
Exact Mass266.04
IUPAC Name(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(Cl)c(F)c1.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-2-9(13)10(15)14-6-3-4-7(11)8(12)5-6;/h3-5,9H,2,13H2,1H3,(H,14,15);1H/t9-;/m0./s1
InChIKeyNPOZGLLHIYKZJS-FVGYRXGTSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76887225
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
5-(2-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712184
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
CID 79022999
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride (CID 119281097) is (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride is CC[C@H](N)C(=O)Nc1ccc(Cl)c(F)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride?
The InChIKey is NPOZGLLHIYKZJS-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12ClFN2O.ClH/c1-2-9(13)10(15)14-6-3-4-7(11)8(12)5-6;/h3-5,9H,2,13H2,1H3,(H,14,15);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride?
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride has a molecular weight of 267.13 g/mol, XLogP of 2.58, 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-(4-chloro-3-fluorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119281097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).