2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid

C15H19FN2O3 — CID 61443329

IUPAC2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
SMILESCCCCN(C(=O)Nc1ccc(F)cc1C(=O)O)C1CC1
InChIInChI=1S/C15H19FN2O3/c1-2-3-8-18(11-5-6-11)15(21)17-13-7-4-10(16)9-12(13)14(19)20/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyWUERQHGEOGTNSS-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.32
Rot. Bonds6

About 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid

2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid (PubChem CID 61443329) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
PubChem CID61443329
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
SMILESCCCCN(C(=O)Nc1ccc(F)cc1C(=O)O)C1CC1
InChIInChI=1S/C15H19FN2O3/c1-2-3-8-18(11-5-6-11)15(21)17-13-7-4-10(16)9-12(13)14(19)20/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyWUERQHGEOGTNSS-UHFFFAOYSA-N
XLogP3.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61199857
5-[[butyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61442800
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
1-butyl-3-(2,4-difluorophenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]urea
CID 151280173
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978668
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
CID 43313053

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid (CID 61443329) is 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid is CCCCN(C(=O)Nc1ccc(F)cc1C(=O)O)C1CC1.
What is the InChIKey of 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid?
The InChIKey is WUERQHGEOGTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-3-8-18(11-5-6-11)15(21)17-13-7-4-10(16)9-12(13)14(19)20/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid?
2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid has a molecular weight of 294.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid is sourced from PubChem (CID 61443329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).