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

C19H17ClN4O2 — CID 993878

IUPACN-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13(25)22-17-6-8-18(9-7-17)23-19(26)15-4-2-14(3-5-15)11-24-12-16(20)10-21-24/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyGZXCDXXBIUFPOO-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.80
Rot. Bonds5

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

N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide (PubChem CID 993878) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
PubChem CID993878
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13(25)22-17-6-8-18(9-7-17)23-19(26)15-4-2-14(3-5-15)11-24-12-16(20)10-21-24/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyGZXCDXXBIUFPOO-UHFFFAOYSA-N
XLogP3.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide (CID 993878) is N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The InChIKey is GZXCDXXBIUFPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13(25)22-17-6-8-18(9-7-17)23-19(26)15-4-2-14(3-5-15)11-24-12-16(20)10-21-24/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide has a molecular weight of 368.82 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 993878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).