(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide

C11H14ClFN2O — CID 29080421

IUPAC(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-6(2)10(14)11(16)15-9-4-3-7(13)5-8(9)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyWFGGPBSDYWXVPP-SNVBAGLBSA-N
MW244.70 g/mol
LogP2.40
Rot. Bonds3

About (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide

(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide (PubChem CID 29080421) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
PubChem CID29080421
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-6(2)10(14)11(16)15-9-4-3-7(13)5-8(9)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyWFGGPBSDYWXVPP-SNVBAGLBSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
2-[(2-amino-3-methylbutanoyl)amino]-4-fluorobenzoic acid
CID 61158299
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-fluorobenzoic acid
CID 61158303
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 61179807
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
2-amino-N-(2-chloro-4-fluorophenyl)-2-phenylacetamide
CID 43150560
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide (CID 29080421) is (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide?
The InChIKey is WFGGPBSDYWXVPP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-6(2)10(14)11(16)15-9-4-3-7(13)5-8(9)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide has a molecular weight of 244.70 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 29080421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).