3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide

C14H20FN3O2 — CID 103928965

IUPAC3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H20FN3O2/c1-7-9(15)5-8(12(17)19)6-10(7)18-13(20)11(16)14(2,3)4/h5-6,11H,16H2,1-4H3,(H2,17,19)(H,18,20)/t11-/m0/s1
InChIKeyLINCUIFTGMXZJD-NSHDSACASA-N
MW281.33 g/mol
LogP1.54
Rot. Bonds3

About 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide

3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide (PubChem CID 103928965) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
PubChem CID103928965
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H20FN3O2/c1-7-9(15)5-8(12(17)19)6-10(7)18-13(20)11(16)14(2,3)4/h5-6,11H,16H2,1-4H3,(H2,17,19)(H,18,20)/t11-/m0/s1
InChIKeyLINCUIFTGMXZJD-NSHDSACASA-N
XLogP1.54
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide 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-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzamide;hydrochloride
CID 119727619
(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide
CID 61178263
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 61180681
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-chlorobenzamide
CID 61154980
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
methyl 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzoate
CID 61179435
3-[[2-(aminomethyl)-3-methylbutyl]amino]-5-fluoro-4-methylbenzamide
CID 107441736
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide (CID 103928965) is 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide?
The InChIKey is LINCUIFTGMXZJD-NSHDSACASA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-7-9(15)5-8(12(17)19)6-10(7)18-13(20)11(16)14(2,3)4/h5-6,11H,16H2,1-4H3,(H2,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide?
3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide has a molecular weight of 281.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 103928965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).