2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid

C14H10ClFN2O3 — CID 61198828

IUPAC2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1F)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H10ClFN2O3/c15-8-5-6-10(16)12(7-8)18-14(21)17-11-4-2-1-3-9(11)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyRLHYCXWFAKIINM-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.82
Rot. Bonds3

About 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid

2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid (PubChem CID 61198828) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
PubChem CID61198828
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1F)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H10ClFN2O3/c15-8-5-6-10(16)12(7-8)18-14(21)17-11-4-2-1-3-9(11)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyRLHYCXWFAKIINM-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-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
CID 61189563
2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 62947575
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
1-(5-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
4-chloro-2-[(2,6-dimethylphenyl)carbamoylamino]benzoic acid
CID 58994734
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985
4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10109069
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
3-(5-chloro-2-fluoroanilino)-2-nitrobenzoic acid
CID 115542164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid (CID 61198828) is 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid is O=C(Nc1cc(Cl)ccc1F)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid?
The InChIKey is RLHYCXWFAKIINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-8-5-6-10(16)12(7-8)18-14(21)17-11-4-2-1-3-9(11)13(19)20/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid?
2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic 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 2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61198828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).