N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide

C17H13Cl2N3O — CID 708266

IUPACN-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C17H13Cl2N3O/c18-14-2-1-3-16(8-14)21-17(23)13-6-4-12(5-7-13)10-22-11-15(19)9-20-22/h1-9,11H,10H2,(H,21,23)
InChIKeyPTNIUBQFVXNSEV-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.49
Rot. Bonds4

About N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide

N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide (PubChem CID 708266) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
PubChem CID708266
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C17H13Cl2N3O/c18-14-2-1-3-16(8-14)21-17(23)13-6-4-12(5-7-13)10-22-11-15(19)9-20-22/h1-9,11H,10H2,(H,21,23)
InChIKeyPTNIUBQFVXNSEV-UHFFFAOYSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide (CID 708266) is N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The InChIKey is PTNIUBQFVXNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-14-2-1-3-16(8-14)21-17(23)13-6-4-12(5-7-13)10-22-11-15(19)9-20-22/h1-9,11H,10H2,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide has a molecular weight of 346.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 708266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).