3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride

C15H11ClF3NO4 — CID 67278377

IUPAC3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H10F3NO4.ClH/c16-15(17,18)23-12-6-4-9(5-7-12)13(20)19-11-3-1-2-10(8-11)14(21)22;/h1-8H,(H,19,20)(H,21,22);1H
InChIKeyKCUDXDWQIQWUNL-UHFFFAOYSA-N
MW361.70 g/mol
LogP3.96
Rot. Bonds4

About 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride

3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride (PubChem CID 67278377) has the molecular formula C15H11ClF3NO4 and a molecular weight of 361.70 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
PubChem CID67278377
Molecular FormulaC15H11ClF3NO4
Molecular Weight361.70 g/mol
Exact Mass361.03
IUPAC Name3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H10F3NO4.ClH/c16-15(17,18)23-12-6-4-9(5-7-12)13(20)19-11-3-1-2-10(8-11)14(21)22;/h1-8H,(H,19,20)(H,21,22);1H
InChIKeyKCUDXDWQIQWUNL-UHFFFAOYSA-N
XLogP3.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.70
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
N-[3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide
CID 55797164
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;hydrochloride
CID 171320799
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N'-phenyl-4-(trifluoromethoxy)benzohydrazide
CID 78774950

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride?
The IUPAC name of 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride (CID 67278377) is 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride?
The canonical SMILES for 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride is Cl.O=C(O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride?
The InChIKey is KCUDXDWQIQWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO4.ClH/c16-15(17,18)23-12-6-4-9(5-7-12)13(20)19-11-3-1-2-10(8-11)14(21)22;/h1-8H,(H,19,20)(H,21,22);1H.
What are the key properties of 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride?
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride has a molecular weight of 361.70 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride is sourced from PubChem (CID 67278377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).