3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide

C15H10Cl2F3NO2 — CID 44871489

IUPAC3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2/c1-23-13-5-2-8(6-12(13)17)14(22)21-9-3-4-11(16)10(7-9)15(18,19)20/h2-7H,1H3,(H,21,22)
InChIKeyIAFYINLFLXMSRT-UHFFFAOYSA-N
MW364.15 g/mol
LogP5.27
Rot. Bonds3

About 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide

3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide (PubChem CID 44871489) has the molecular formula C15H10Cl2F3NO2 and a molecular weight of 364.15 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
PubChem CID44871489
Molecular FormulaC15H10Cl2F3NO2
Molecular Weight364.15 g/mol
Exact Mass363.00
IUPAC Name3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2/c1-23-13-5-2-8(6-12(13)17)14(22)21-9-3-4-11(16)10(7-9)15(18,19)20/h2-7H,1H3,(H,21,22)
InChIKeyIAFYINLFLXMSRT-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.15
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673140
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide (CID 44871489) is 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The InChIKey is IAFYINLFLXMSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO2/c1-23-13-5-2-8(6-12(13)17)14(22)21-9-3-4-11(16)10(7-9)15(18,19)20/h2-7H,1H3,(H,21,22).
What are the key properties of 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide?
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide has a molecular weight of 364.15 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 44871489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).