3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide

C18H15BrClN3O — CID 35760792

IUPAC3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
SMILESCc1nn(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)c(C)c1Cl
InChIInChI=1S/C18H15BrClN3O/c1-11-17(20)12(2)23(22-11)16-8-6-15(7-9-16)21-18(24)13-4-3-5-14(19)10-13/h3-10H,1-2H3,(H,21,24)
InChIKeyFCDFCIYAUSTBEU-UHFFFAOYSA-N
MW404.70 g/mol
LogP5.16
Rot. Bonds3

About 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide

3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide (PubChem CID 35760792) has the molecular formula C18H15BrClN3O and a molecular weight of 404.70 g/mol. Its IUPAC name is 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
PubChem CID35760792
Molecular FormulaC18H15BrClN3O
Molecular Weight404.70 g/mol
Exact Mass403.01
IUPAC Name3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
SMILESCc1nn(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)c(C)c1Cl
InChIInChI=1S/C18H15BrClN3O/c1-11-17(20)12(2)23(22-11)16-8-6-15(7-9-16)21-18(24)13-4-3-5-14(19)10-13/h3-10H,1-2H3,(H,21,24)
InChIKeyFCDFCIYAUSTBEU-UHFFFAOYSA-N
XLogP5.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.70
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide
CID 146503907
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
3-bromo-N-[4-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]benzamide
CID 46123836
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 35532568
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 32965127
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 35281504
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide (CID 35760792) is 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide is Cc1nn(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)c(C)c1Cl.
What is the InChIKey of 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The InChIKey is FCDFCIYAUSTBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O/c1-11-17(20)12(2)23(22-11)16-8-6-15(7-9-16)21-18(24)13-4-3-5-14(19)10-13/h3-10H,1-2H3,(H,21,24).
What are the key properties of 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide has a molecular weight of 404.70 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 35760792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).