2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid

C21H23FN2O4 — CID 119192334

IUPAC2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)C(=O)O
InChIInChI=1S/C21H23FN2O4/c1-4-11-21(3,20(27)28)24-18(25)14-10-9-13(2)17(12-14)23-19(26)15-7-5-6-8-16(15)22/h5-10,12H,4,11H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyFYQPVOVDHRIDSX-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.76
Rot. Bonds7

About 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid

2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid (PubChem CID 119192334) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid
PubChem CID119192334
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)C(=O)O
InChIInChI=1S/C21H23FN2O4/c1-4-11-21(3,20(27)28)24-18(25)14-10-9-13(2)17(12-14)23-19(26)15-7-5-6-8-16(15)22/h5-10,12H,4,11H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyFYQPVOVDHRIDSX-UHFFFAOYSA-N
XLogP3.76
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid 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

2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
ethyl 3-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoate
CID 60590432
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
CID 55782447
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 60591826
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687228
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid (CID 119192334) is 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)C(=O)O.
What is the InChIKey of 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid?
The InChIKey is FYQPVOVDHRIDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-4-11-21(3,20(27)28)24-18(25)14-10-9-13(2)17(12-14)23-19(26)15-7-5-6-8-16(15)22/h5-10,12H,4,11H2,1-3H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid?
2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid has a molecular weight of 386.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 119192334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).