4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid

C15H10ClF3N2O3 — CID 10109069

IUPAC4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H10ClF3N2O3/c16-9-4-5-11(13(22)23)12(7-9)21-14(24)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24)
InChIKeyGNCZTZCPXFDPLI-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.70
Rot. Bonds3

About 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid

4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (PubChem CID 10109069) has the molecular formula C15H10ClF3N2O3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
PubChem CID10109069
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70 g/mol
Exact Mass358.03
IUPAC Name4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H10ClF3N2O3/c16-9-4-5-11(13(22)23)12(7-9)21-14(24)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24)
InChIKeyGNCZTZCPXFDPLI-UHFFFAOYSA-N
XLogP4.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-4-chlorobenzoic acid
CID 11293246
4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10110546
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
5-chloro-2-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzenesulfonic acid
CID 23211124
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
sodium 4-chloro-2-[3-(trifluoromethyl)anilino]benzoate
CID 23680234
4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (CID 10109069) is 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid is O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The InChIKey is GNCZTZCPXFDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3/c16-9-4-5-11(13(22)23)12(7-9)21-14(24)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24).
What are the key properties of 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid has a molecular weight of 358.70 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 10109069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).