4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid

C14H10ClFN2O3 — CID 107793077

IUPAC4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H10ClFN2O3/c15-8-2-1-3-9(6-8)17-14(21)18-10-4-5-11(13(19)20)12(16)7-10/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyDVDHQADZQAAXLD-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.82
Rot. Bonds3

About 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid

4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid (PubChem CID 107793077) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
PubChem CID107793077
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H10ClFN2O3/c15-8-2-1-3-9(6-8)17-14(21)18-10-4-5-11(13(19)20)12(16)7-10/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyDVDHQADZQAAXLD-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

1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
CID 65431813
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 107049046
2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 91682684
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
CID 168763640
CID 168763640
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10109069

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid (CID 107793077) is 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid is O=C(Nc1cccc(Cl)c1)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid?
The InChIKey is DVDHQADZQAAXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-8-2-1-3-9(6-8)17-14(21)18-10-4-5-11(13(19)20)12(16)7-10/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid?
4-[(3-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 4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid is sourced from PubChem (CID 107793077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).