N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide

C22H15BrClN3O — CID 172876438

IUPACN-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-n2ccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H15BrClN3O/c23-17-5-9-19(10-6-17)25-22(28)16-3-11-20(12-4-16)27-14-13-21(26-27)15-1-7-18(24)8-2-15/h1-14H,(H,25,28)
InChIKeyIAMDGVZQQSJTBB-UHFFFAOYSA-N
MW452.74 g/mol
LogP6.21
Rot. Bonds4

About N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide

N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide (PubChem CID 172876438) has the molecular formula C22H15BrClN3O and a molecular weight of 452.74 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide
PubChem CID172876438
Molecular FormulaC22H15BrClN3O
Molecular Weight452.74 g/mol
Exact Mass451.01
IUPAC NameN-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-n2ccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H15BrClN3O/c23-17-5-9-19(10-6-17)25-22(28)16-3-11-20(12-4-16)27-14-13-21(26-27)15-1-7-18(24)8-2-15/h1-14H,(H,25,28)
InChIKeyIAMDGVZQQSJTBB-UHFFFAOYSA-N
XLogP6.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.74
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide
CID 172876440
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CID 42737491
4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247394
4-[3-(4-bromophenyl)pyrazol-1-yl]phenol
CID 57125137
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide (CID 172876438) is N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide is O=C(Nc1ccc(Br)cc1)c1ccc(-n2ccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The InChIKey is IAMDGVZQQSJTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClN3O/c23-17-5-9-19(10-6-17)25-22(28)16-3-11-20(12-4-16)27-14-13-21(26-27)15-1-7-18(24)8-2-15/h1-14H,(H,25,28).
What are the key properties of N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide?
N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide has a molecular weight of 452.74 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 172876438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).