2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide

C25H18Cl2F3N3O2 — CID 155402276

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
SMILESCn1nc(-c2ccc(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3Cl)cc2O)cc1C(F)(F)F
InChIInChI=1S/C25H18Cl2F3N3O2/c1-32-23(25(28,29)30)13-21(31-32)19-11-10-17(12-22(19)34)33(14-15-6-8-16(26)9-7-15)24(35)18-4-2-3-5-20(18)27/h2-13,34H,14H2,1H3
InChIKeyKIDPEDDIOCFMRN-UHFFFAOYSA-N
MW520.34 g/mol
LogP6.97
Rot. Bonds5

About 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide

2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide (PubChem CID 155402276) has the molecular formula C25H18Cl2F3N3O2 and a molecular weight of 520.34 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
PubChem CID155402276
Molecular FormulaC25H18Cl2F3N3O2
Molecular Weight520.34 g/mol
Exact Mass519.07
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
SMILESCn1nc(-c2ccc(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3Cl)cc2O)cc1C(F)(F)F
InChIInChI=1S/C25H18Cl2F3N3O2/c1-32-23(25(28,29)30)13-21(31-32)19-11-10-17(12-22(19)34)33(14-15-6-8-16(26)9-7-15)24(35)18-4-2-3-5-20(18)27/h2-13,34H,14H2,1H3
InChIKeyKIDPEDDIOCFMRN-UHFFFAOYSA-N
XLogP6.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.34
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155402404
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
CID 59631888
N-(2-chloro-3-hydroxy-4-methylphenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59631972
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[(4-hydroxy-3-methylphenyl)methyl]benzamide
CID 59632553
2-chloro-N-[3-methoxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 68210879
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-4-methylphenyl)benzamide
CID 68656041
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135416052
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443361
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443370
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443371
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135465788
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135486124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide (CID 155402276) is 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide is Cn1nc(-c2ccc(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3Cl)cc2O)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide?
The InChIKey is KIDPEDDIOCFMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2F3N3O2/c1-32-23(25(28,29)30)13-21(31-32)19-11-10-17(12-22(19)34)33(14-15-6-8-16(26)9-7-15)24(35)18-4-2-3-5-20(18)27/h2-13,34H,14H2,1H3.
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide?
2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide has a molecular weight of 520.34 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 155402276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).