N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide

C15H21FN2O3 — CID 97321512

IUPACN-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-9(2)8-15(3,14(17)20)18-13(19)10-5-6-11(16)12(7-10)21-4/h5-7,9H,8H2,1-4H3,(H2,17,20)(H,18,19)/t15-/m0/s1
InChIKeyFVQNSSCOGHNIPO-HNNXBMFYSA-N
MW296.34 g/mol
LogP1.85
Rot. Bonds6

About N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide

N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide (PubChem CID 97321512) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide
PubChem CID97321512
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-9(2)8-15(3,14(17)20)18-13(19)10-5-6-11(16)12(7-10)21-4/h5-7,9H,8H2,1-4H3,(H2,17,20)(H,18,19)/t15-/m0/s1
InChIKeyFVQNSSCOGHNIPO-HNNXBMFYSA-N
XLogP1.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide 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

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81284104
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
3-[(4-fluoro-3-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 81283508
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 62919550
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 80998584
4-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-3-methoxybenzamide
CID 81289261
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide (CID 97321512) is N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)ccc1F.
What is the InChIKey of N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide?
The InChIKey is FVQNSSCOGHNIPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-9(2)8-15(3,14(17)20)18-13(19)10-5-6-11(16)12(7-10)21-4/h5-7,9H,8H2,1-4H3,(H2,17,20)(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide?
N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide has a molecular weight of 296.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 97321512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).