2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid

C15H9ClF3NO3 — CID 85472840

IUPAC2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3NO3/c16-9-5-8(15(17,18)19)6-10(7-9)20-13(21)11-3-1-2-4-12(11)14(22)23/h1-7H,(H,20,21)(H,22,23)
InChIKeyYOHGCKVZCJDONQ-UHFFFAOYSA-N
MW343.69 g/mol
LogP4.31
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid

2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid (PubChem CID 85472840) has the molecular formula C15H9ClF3NO3 and a molecular weight of 343.69 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
PubChem CID85472840
Molecular FormulaC15H9ClF3NO3
Molecular Weight343.69 g/mol
Exact Mass343.02
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3NO3/c16-9-5-8(15(17,18)19)6-10(7-9)20-13(21)11-3-1-2-4-12(11)14(22)23/h1-7H,(H,20,21)(H,22,23)
InChIKeyYOHGCKVZCJDONQ-UHFFFAOYSA-N
XLogP4.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 116700273
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylthiourea
CID 116699288
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
CID 107036187
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
3-[2-[2-[(2R)-2-amino-3-(methylamino)-3-oxopropyl]phenyl]ethynyl]-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzamide
CID 175458617
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628612
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid (CID 85472840) is 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is YOHGCKVZCJDONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO3/c16-9-5-8(15(17,18)19)6-10(7-9)20-13(21)11-3-1-2-4-12(11)14(22)23/h1-7H,(H,20,21)(H,22,23).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid?
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 343.69 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 85472840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).