N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide

C20H18BrClN4O2 — CID 46408440

IUPACN-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1Cl
InChIInChI=1S/C20H18BrClN4O2/c1-11-19(21)12(2)26(25-11)16-7-4-14(5-8-16)20(28)24-15-6-9-18(17(22)10-15)23-13(3)27/h4-10H,1-3H3,(H,23,27)(H,24,28)
InChIKeyUVVDHONHBNJVOV-UHFFFAOYSA-N
MW461.75 g/mol
LogP5.12
Rot. Bonds4

About N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide

N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 46408440) has the molecular formula C20H18BrClN4O2 and a molecular weight of 461.75 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID46408440
Molecular FormulaC20H18BrClN4O2
Molecular Weight461.75 g/mol
Exact Mass460.03
IUPAC NameN-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1Cl
InChIInChI=1S/C20H18BrClN4O2/c1-11-19(21)12(2)26(25-11)16-7-4-14(5-8-16)20(28)24-15-6-9-18(17(22)10-15)23-13(3)27/h4-10H,1-3H3,(H,23,27)(H,24,28)
InChIKeyUVVDHONHBNJVOV-UHFFFAOYSA-N
XLogP5.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.75
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide with MolForge

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 55608701
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(propanoylamino)phenyl]benzamide
CID 55787983
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
CID 55604797
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55606385
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
methyl 3-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-hydroxybenzoate
CID 56543320
N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 55617066
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide (CID 46408440) is N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is UVVDHONHBNJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN4O2/c1-11-19(21)12(2)26(25-11)16-7-4-14(5-8-16)20(28)24-15-6-9-18(17(22)10-15)23-13(3)27/h4-10H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 461.75 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 46408440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).