2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide

C17H11Cl2F2N3O — CID 55377836

IUPAC2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H11Cl2F2N3O/c1-9-5-16(24(23-9)11-4-2-3-10(18)6-11)22-17(25)12-7-14(20)15(21)8-13(12)19/h2-8H,1H3,(H,22,25)
InChIKeyJOWACHTVDOJMMA-UHFFFAOYSA-N
MW382.20 g/mol
LogP5.02
Rot. Bonds3

About 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide

2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide (PubChem CID 55377836) has the molecular formula C17H11Cl2F2N3O and a molecular weight of 382.20 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
PubChem CID55377836
Molecular FormulaC17H11Cl2F2N3O
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Name2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H11Cl2F2N3O/c1-9-5-16(24(23-9)11-4-2-3-10(18)6-11)22-17(25)12-7-14(20)15(21)8-13(12)19/h2-8H,1H3,(H,22,25)
InChIKeyJOWACHTVDOJMMA-UHFFFAOYSA-N
XLogP5.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.20
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55377865
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391
5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 112823648
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide (CID 55377836) is 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide is Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide?
The InChIKey is JOWACHTVDOJMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O/c1-9-5-16(24(23-9)11-4-2-3-10(18)6-11)22-17(25)12-7-14(20)15(21)8-13(12)19/h2-8H,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide?
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide has a molecular weight of 382.20 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide is sourced from PubChem (CID 55377836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).