3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide

C13H18FN3O2 — CID 104902798

IUPAC3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-7(2)5-10(15)13(19)17-11-6-8(12(16)18)3-4-9(11)14/h3-4,6-7,10H,5,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m1/s1
InChIKeyDHWZBQLXUJQDFF-SNVBAGLBSA-N
MW267.30 g/mol
LogP1.24
Rot. Bonds5

About 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide

3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide (PubChem CID 104902798) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
PubChem CID104902798
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-7(2)5-10(15)13(19)17-11-6-8(12(16)18)3-4-9(11)14/h3-4,6-7,10H,5,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m1/s1
InChIKeyDHWZBQLXUJQDFF-SNVBAGLBSA-N
XLogP1.24
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzoic acid
CID 61180473
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
CID 81083526
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
2-[[(5-carbamoyl-2-fluorophenyl)carbamoylamino]methyl]-4-methylpentanoic acid
CID 122126472
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzamide;hydrochloride
CID 119727619
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide?
The IUPAC name of 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide (CID 104902798) is 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide?
The canonical SMILES for 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide is CC(C)C[C@@H](N)C(=O)Nc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide?
The InChIKey is DHWZBQLXUJQDFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-7(2)5-10(15)13(19)17-11-6-8(12(16)18)3-4-9(11)14/h3-4,6-7,10H,5,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide?
3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide is sourced from PubChem (CID 104902798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).