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

C21H21FN2O4 — CID 119203367

IUPAC2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid
SMILESCc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H21FN2O4/c1-12-7-8-14(20(26)24(15-9-10-15)13(2)21(27)28)11-18(12)23-19(25)16-5-3-4-6-17(16)22/h3-8,11,13,15H,9-10H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyCOCWERGYJYXSTO-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.46
Rot. Bonds6

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

2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid (PubChem CID 119203367) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid
PubChem CID119203367
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid
SMILESCc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H21FN2O4/c1-12-7-8-14(20(26)24(15-9-10-15)13(2)21(27)28)11-18(12)23-19(25)16-5-3-4-6-17(16)22/h3-8,11,13,15H,9-10H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyCOCWERGYJYXSTO-UHFFFAOYSA-N
XLogP3.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 55688009
(2R,3R)-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115383
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
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687960
N-[5-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-2-methylphenyl]-2-fluorobenzamide
CID 55898012
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
CID 97249445
1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55687454
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 60591826
3-fluoro-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119259430

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid (CID 119203367) is 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid is Cc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid?
The InChIKey is COCWERGYJYXSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-12-7-8-14(20(26)24(15-9-10-15)13(2)21(27)28)11-18(12)23-19(25)16-5-3-4-6-17(16)22/h3-8,11,13,15H,9-10H2,1-2H3,(H,23,25)(H,27,28).
What are the key properties of 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid?
2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid has a molecular weight of 384.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid is sourced from PubChem (CID 119203367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).