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

C17H12Cl2FN3O — CID 19402865

IUPAC2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2FN3O/c18-14-4-2-1-3-13(14)17(24)21-16-7-8-23(22-16)10-11-5-6-12(20)9-15(11)19/h1-9H,10H2,(H,21,22,24)
InChIKeyFOBFZGNUHIBIME-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.63
Rot. Bonds4

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

2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19402865) has the molecular formula C17H12Cl2FN3O and a molecular weight of 364.21 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19402865
Molecular FormulaC17H12Cl2FN3O
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2FN3O/c18-14-4-2-1-3-13(14)17(24)21-16-7-8-23(22-16)10-11-5-6-12(20)9-15(11)19/h1-9H,10H2,(H,21,22,24)
InChIKeyFOBFZGNUHIBIME-UHFFFAOYSA-N
XLogP4.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 4773476
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 4867176
3-bromo-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403014
2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347045
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403011
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19401326
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509180
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19402900
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-ethylbutanamide
CID 19402868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19402865) is 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccc(F)cc2Cl)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is FOBFZGNUHIBIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O/c18-14-4-2-1-3-13(14)17(24)21-16-7-8-23(22-16)10-11-5-6-12(20)9-15(11)19/h1-9H,10H2,(H,21,22,24).
What are the key properties of 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 364.21 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19402865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).