3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C20H13Cl2F3N2O2 — CID 59673140

IUPAC3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(Cl)c2)cc1Cl
InChIInChI=1S/C20H13Cl2F3N2O2/c1-29-17-7-5-12(10-16(17)22)27-19(28)11-4-6-13(15(21)9-11)18-14(20(23,24)25)3-2-8-26-18/h2-10H,1H3,(H,27,28)
InChIKeyBMXDHYJICMEOFZ-UHFFFAOYSA-N
MW441.24 g/mol
LogP6.34
Rot. Bonds4

About 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673140) has the molecular formula C20H13Cl2F3N2O2 and a molecular weight of 441.24 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673140
Molecular FormulaC20H13Cl2F3N2O2
Molecular Weight441.24 g/mol
Exact Mass440.03
IUPAC Name3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(Cl)c2)cc1Cl
InChIInChI=1S/C20H13Cl2F3N2O2/c1-29-17-7-5-12(10-16(17)22)27-19(28)11-4-6-13(15(21)9-11)18-14(20(23,24)25)3-2-8-26-18/h2-10H,1H3,(H,27,28)
InChIKeyBMXDHYJICMEOFZ-UHFFFAOYSA-N
XLogP6.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.24
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673724
N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673054
3-chloro-N-(6-chloro-3-pyridinyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673136
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3-chloro-N-(1H-indazol-5-yl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673395
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
CID 59673439
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673140) is 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is BMXDHYJICMEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O2/c1-29-17-7-5-12(10-16(17)22)27-19(28)11-4-6-13(15(21)9-11)18-14(20(23,24)25)3-2-8-26-18/h2-10H,1H3,(H,27,28).
What are the key properties of 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 441.24 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).