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

C24H16Cl2FN3O2 — CID 19402799

IUPAC2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H16Cl2FN3O2/c25-17-10-8-16(9-11-17)22(31)19-6-1-2-7-20(19)24(32)28-23-21(26)14-30(29-23)13-15-4-3-5-18(27)12-15/h1-12,14H,13H2,(H,28,29,32)
InChIKeyUOYWUAYEKLXXIA-UHFFFAOYSA-N
MW468.32 g/mol
LogP5.86
Rot. Bonds6

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

2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19402799) has the molecular formula C24H16Cl2FN3O2 and a molecular weight of 468.32 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19402799
Molecular FormulaC24H16Cl2FN3O2
Molecular Weight468.32 g/mol
Exact Mass467.06
IUPAC Name2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H16Cl2FN3O2/c25-17-10-8-16(9-11-17)22(31)19-6-1-2-7-20(19)24(32)28-23-21(26)14-30(29-23)13-15-4-3-5-18(27)12-15/h1-12,14H,13H2,(H,28,29,32)
InChIKeyUOYWUAYEKLXXIA-UHFFFAOYSA-N
XLogP5.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.32
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407351
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19409129
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19401112
4-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475917
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19402777
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524977
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19401233
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19402766
2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407398
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19409059

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19402799) is 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is UOYWUAYEKLXXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2FN3O2/c25-17-10-8-16(9-11-17)22(31)19-6-1-2-7-20(19)24(32)28-23-21(26)14-30(29-23)13-15-4-3-5-18(27)12-15/h1-12,14H,13H2,(H,28,29,32).
What are the key properties of 2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 468.32 g/mol, XLogP of 5.86, 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-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19402799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).