3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide

C15H11ClF3NO2 — CID 886628

IUPAC3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C15H11ClF3NO2/c1-22-13-7-6-9(8-11(13)16)14(21)20-12-5-3-2-4-10(12)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyMLAALIJEXXHIEG-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.62
Rot. Bonds3

About 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide

3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 886628) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID886628
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C15H11ClF3NO2/c1-22-13-7-6-9(8-11(13)16)14(21)20-12-5-3-2-4-10(12)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyMLAALIJEXXHIEG-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
CID 23968766
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434
3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673140
1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049860
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 84580545
(Z)-3-(3-chloro-4-methoxyanilino)-2-cyano-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108822788

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide (CID 886628) is 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MLAALIJEXXHIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-22-13-7-6-9(8-11(13)16)14(21)20-12-5-3-2-4-10(12)15(17,18)19/h2-8H,1H3,(H,20,21).
What are the key properties of 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 329.71 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 886628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).