4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide

C17H12BrClFN3O — CID 35323397

IUPAC4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C17H12BrClFN3O/c18-13-8-21-23(10-13)9-11-1-3-12(4-2-11)17(24)22-16-6-5-14(19)7-15(16)20/h1-8,10H,9H2,(H,22,24)
InChIKeySRFJSFDXYGMPBQ-UHFFFAOYSA-N
MW408.66 g/mol
LogP4.74
Rot. Bonds4

About 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide

4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide (PubChem CID 35323397) has the molecular formula C17H12BrClFN3O and a molecular weight of 408.66 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
PubChem CID35323397
Molecular FormulaC17H12BrClFN3O
Molecular Weight408.66 g/mol
Exact Mass406.98
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C17H12BrClFN3O/c18-13-8-21-23(10-13)9-11-1-3-12(4-2-11)17(24)22-16-6-5-14(19)7-15(16)20/h1-8,10H,9H2,(H,22,24)
InChIKeySRFJSFDXYGMPBQ-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.66
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1014836
N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
CID 1014637
4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35323499
5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 7961320
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 35529421
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 7774576
N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1225788
4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
CID 95756450
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
1-benzyl-N-(4-chloro-2-fluorophenyl)triazole-4-carboxamide
CID 18152200
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
CID 62241320

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide (CID 35323397) is 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide?
The InChIKey is SRFJSFDXYGMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClFN3O/c18-13-8-21-23(10-13)9-11-1-3-12(4-2-11)17(24)22-16-6-5-14(19)7-15(16)20/h1-8,10H,9H2,(H,22,24).
What are the key properties of 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide?
4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide has a molecular weight of 408.66 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide is sourced from PubChem (CID 35323397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).