2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C24H16Cl3N3O2 — CID 19407351

IUPAC2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H16Cl3N3O2/c25-17-9-5-15(6-10-17)13-30-14-21(27)23(29-30)28-24(32)20-4-2-1-3-19(20)22(31)16-7-11-18(26)12-8-16/h1-12,14H,13H2,(H,28,29,32)
InChIKeyFWVVQFSGVAHQHV-UHFFFAOYSA-N
MW484.77 g/mol
LogP6.37
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19407351) has the molecular formula C24H16Cl3N3O2 and a molecular weight of 484.77 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19407351
Molecular FormulaC24H16Cl3N3O2
Molecular Weight484.77 g/mol
Exact Mass483.03
IUPAC Name2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H16Cl3N3O2/c25-17-9-5-15(6-10-17)13-30-14-21(27)23(29-30)28-24(32)20-4-2-1-3-19(20)22(31)16-7-11-18(26)12-8-16/h1-12,14H,13H2,(H,28,29,32)
InChIKeyFWVVQFSGVAHQHV-UHFFFAOYSA-N
XLogP6.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.77
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402799
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354
2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407398
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19409059
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 19407215
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401842
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19407304
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-methylbenzoyl)benzamide
CID 19287374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19407351) is 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is FWVVQFSGVAHQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3N3O2/c25-17-9-5-15(6-10-17)13-30-14-21(27)23(29-30)28-24(32)20-4-2-1-3-19(20)22(31)16-7-11-18(26)12-8-16/h1-12,14H,13H2,(H,28,29,32).
What are the key properties of 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 484.77 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19407351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).