5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid

C14H10ClFN2O3 — CID 60827610

IUPAC5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H10ClFN2O3/c15-8-1-3-9(4-2-8)17-14(21)18-10-5-6-12(16)11(7-10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyUMAZUZKFAANNOG-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.82
Rot. Bonds3

About 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid

5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid (PubChem CID 60827610) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
PubChem CID60827610
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H10ClFN2O3/c15-8-1-3-9(4-2-8)17-14(21)18-10-5-6-12(16)11(7-10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyUMAZUZKFAANNOG-UHFFFAOYSA-N
XLogP3.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(pyrimidin-5-ylcarbamoylamino)benzoic acid
CID 107589277
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824
4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401
2-fluoro-5-(piperidin-1-ylcarbamoylamino)benzoic acid
CID 83020637
5-(3-aminopropylcarbamoylamino)-2-fluorobenzoic acid
CID 62273492
2-fluoro-5-(prop-2-ynoylamino)benzoic acid
CID 60826074
5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61480748
methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate
CID 84514488
5-[(2-bromo-2-methylpropanoyl)amino]-2-fluorobenzoic acid
CID 114327952
5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid
CID 115295936

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid?
The IUPAC name of 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid (CID 60827610) is 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid is O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid?
The InChIKey is UMAZUZKFAANNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-8-1-3-9(4-2-8)17-14(21)18-10-5-6-12(16)11(7-10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid?
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid has a molecular weight of 308.70 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid is sourced from PubChem (CID 60827610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).