N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide

C18H15Cl2N3O — CID 1272230

IUPACN-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C18H15Cl2N3O/c1-12-2-7-15(19)8-17(12)22-18(24)14-5-3-13(4-6-14)10-23-11-16(20)9-21-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyXQNKEFPXJRALFI-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.80
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide

N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide (PubChem CID 1272230) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
PubChem CID1272230
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC NameN-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C18H15Cl2N3O/c1-12-2-7-15(19)8-17(12)22-18(24)14-5-3-13(4-6-14)10-23-11-16(20)9-21-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyXQNKEFPXJRALFI-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide (CID 1272230) is N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The InChIKey is XQNKEFPXJRALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-12-2-7-15(19)8-17(12)22-18(24)14-5-3-13(4-6-14)10-23-11-16(20)9-21-23/h2-9,11H,10H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide has a molecular weight of 360.24 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 1272230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).