2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C19H16ClN3O2 — CID 19292438

IUPAC2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H16ClN3O2/c1-23-12-13(11-22-23)10-21-19(25)17-5-3-2-4-16(17)18(24)14-6-8-15(20)9-7-14/h2-9,11-12H,10H2,1H3,(H,21,25)
InChIKeyHWWOLHGVBNWDFA-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.23
Rot. Bonds5

About 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 19292438) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID19292438
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H16ClN3O2/c1-23-12-13(11-22-23)10-21-19(25)17-5-3-2-4-16(17)18(24)14-6-8-15(20)9-7-14/h2-9,11-12H,10H2,1H3,(H,21,25)
InChIKeyHWWOLHGVBNWDFA-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
CID 19296874
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55051270
2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290508
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107027466
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
4-[(4-chlorophenyl)carbamoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19449703
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 19292438) is 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is HWWOLHGVBNWDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-23-12-13(11-22-23)10-21-19(25)17-5-3-2-4-16(17)18(24)14-6-8-15(20)9-7-14/h2-9,11-12H,10H2,1H3,(H,21,25).
What are the key properties of 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 353.81 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19292438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).