3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide

C14H20FN3O2 — CID 43713949

IUPAC3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C14H20FN3O2/c1-7(2)4-11(16)14(20)18-12-6-9(13(17)19)5-10(15)8(12)3/h5-7,11H,4,16H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyKOTFWPIJCRWRRB-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.54
Rot. Bonds5

About 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide

3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide (PubChem CID 43713949) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
PubChem CID43713949
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C14H20FN3O2/c1-7(2)4-11(16)14(20)18-12-6-9(13(17)19)5-10(15)8(12)3/h5-7,11H,4,16H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyKOTFWPIJCRWRRB-UHFFFAOYSA-N
XLogP1.54
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 61180681
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 103928965
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzoic acid
CID 61180473
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880
3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide
CID 43735773
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide (CID 43713949) is 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)C(N)CC(C)C.
What is the InChIKey of 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide?
The InChIKey is KOTFWPIJCRWRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-7(2)4-11(16)14(20)18-12-6-9(13(17)19)5-10(15)8(12)3/h5-7,11H,4,16H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide?
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide has a molecular weight of 281.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 43713949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).