(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide

C14H18FN3O — CID 61178263

IUPAC(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H18FN3O/c1-8-10(15)5-9(7-16)6-11(8)18-13(19)12(17)14(2,3)4/h5-6,12H,17H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyLRPNPULDDQPIJV-GFCCVEGCSA-N
MW263.32 g/mol
LogP2.32
Rot. Bonds2

About (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 61178263) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide
PubChem CID61178263
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H18FN3O/c1-8-10(15)5-9(7-16)6-11(8)18-13(19)12(17)14(2,3)4/h5-6,12H,17H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyLRPNPULDDQPIJV-GFCCVEGCSA-N
XLogP2.32
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide 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

3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 103928965
3-amino-N-(5-cyano-3-fluoro-2-methylphenyl)butanamide
CID 60841231
2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797820
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
CID 61061573
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79200626
6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide
CID 43712227
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
(2S)-2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 119812870
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62838481
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide (CID 61178263) is (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide is Cc1c(F)cc(C#N)cc1NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is LRPNPULDDQPIJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8-10(15)5-9(7-16)6-11(8)18-13(19)12(17)14(2,3)4/h5-6,12H,17H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 263.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61178263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).