N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide

C21H15Cl2F4N3O2 — CID 19535673

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C21H15Cl2F4N3O2/c1-10(30-17(20(26)27)15(23)16(29-30)19(24)25)21(32)28-14-8-7-12(22)9-13(14)18(31)11-5-3-2-4-6-11/h2-10,19-20H,1H3,(H,28,32)
InChIKeyZCFZPANLPMJRRN-UHFFFAOYSA-N
MW488.27 g/mol
LogP6.50
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide

N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19535673) has the molecular formula C21H15Cl2F4N3O2 and a molecular weight of 488.27 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19535673
Molecular FormulaC21H15Cl2F4N3O2
Molecular Weight488.27 g/mol
Exact Mass487.05
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C21H15Cl2F4N3O2/c1-10(30-17(20(26)27)15(23)16(29-30)19(24)25)21(32)28-14-8-7-12(22)9-13(14)18(31)11-5-3-2-4-6-11/h2-10,19-20H,1H3,(H,28,32)
InChIKeyZCFZPANLPMJRRN-UHFFFAOYSA-N
XLogP6.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.27
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 19535669
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19535373
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535671
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19535702
N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528150
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535845
N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
CID 52916008
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide (CID 19535673) is N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)n1nc(C(F)F)c(Cl)c1C(F)F.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is ZCFZPANLPMJRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F4N3O2/c1-10(30-17(20(26)27)15(23)16(29-30)19(24)25)21(32)28-14-8-7-12(22)9-13(14)18(31)11-5-3-2-4-6-11/h2-10,19-20H,1H3,(H,28,32).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide?
N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 488.27 g/mol, XLogP of 6.50, 7 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-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19535673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).