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

C18H15ClFN3O — CID 892256

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1
InChIInChI=1S/C18H15ClFN3O/c1-12-2-7-16(20)17(8-12)22-18(24)14-5-3-13(4-6-14)10-23-11-15(19)9-21-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyMVCQHLWTPWZLRP-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.28
Rot. Bonds4

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

4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide (PubChem CID 892256) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide
PubChem CID892256
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1
InChIInChI=1S/C18H15ClFN3O/c1-12-2-7-16(20)17(8-12)22-18(24)14-5-3-13(4-6-14)10-23-11-15(19)9-21-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyMVCQHLWTPWZLRP-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide (CID 892256) is 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide is Cc1ccc(F)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide?
The InChIKey is MVCQHLWTPWZLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12-2-7-16(20)17(8-12)22-18(24)14-5-3-13(4-6-14)10-23-11-15(19)9-21-23/h2-9,11H,10H2,1H3,(H,22,24).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide has a molecular weight of 343.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 892256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).