N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide

C20H17BrClN3O2 — CID 19535373

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Br)cnn1C(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H17BrClN3O2/c1-12-17(21)11-23-25(12)13(2)20(27)24-18-9-8-15(22)10-16(18)19(26)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,24,27)
InChIKeySCMWAMKAERYOJV-UHFFFAOYSA-N
MW446.73 g/mol
LogP5.04
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide

N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19535373) has the molecular formula C20H17BrClN3O2 and a molecular weight of 446.73 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide
PubChem CID19535373
Molecular FormulaC20H17BrClN3O2
Molecular Weight446.73 g/mol
Exact Mass445.02
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Br)cnn1C(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H17BrClN3O2/c1-12-17(21)11-23-25(12)13(2)20(27)24-18-9-8-15(22)10-16(18)19(26)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,24,27)
InChIKeySCMWAMKAERYOJV-UHFFFAOYSA-N
XLogP5.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.73
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide
CID 19535361
N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide
CID 19535673
N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19474995
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525433
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19535569
N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11839494
2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19533646
N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 53266932
N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528150

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide (CID 19535373) is N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide is Cc1c(Br)cnn1C(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is SCMWAMKAERYOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN3O2/c1-12-17(21)11-23-25(12)13(2)20(27)24-18-9-8-15(22)10-16(18)19(26)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,24,27).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide?
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 446.73 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19535373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).