4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid

C14H17FN2O3 — CID 63190019

IUPAC4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
SMILESCCCN(C(=O)Nc1ccc(C(=O)O)cc1F)C1CC1
InChIInChI=1S/C14H17FN2O3/c1-2-7-17(10-4-5-10)14(20)16-12-6-3-9(13(18)19)8-11(12)15/h3,6,8,10H,2,4-5,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyNLQAQIYZZCXUPN-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.93
Rot. Bonds5

About 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid

4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid (PubChem CID 63190019) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
PubChem CID63190019
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
SMILESCCCN(C(=O)Nc1ccc(C(=O)O)cc1F)C1CC1
InChIInChI=1S/C14H17FN2O3/c1-2-7-17(10-4-5-10)14(20)16-12-6-3-9(13(18)19)8-11(12)15/h3,6,8,10H,2,4-5,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyNLQAQIYZZCXUPN-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 107400146
2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
CID 61443329
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190120
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190287
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61452697
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
CID 111754289
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
CID 63723129
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 61194740

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid (CID 63190019) is 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid is CCCN(C(=O)Nc1ccc(C(=O)O)cc1F)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid?
The InChIKey is NLQAQIYZZCXUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-7-17(10-4-5-10)14(20)16-12-6-3-9(13(18)19)8-11(12)15/h3,6,8,10H,2,4-5,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid?
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63190019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).