N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide

C20H17Cl2N3O2 — CID 19543953

IUPACN-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H17Cl2N3O2/c1-13-17(22)12-25(24-13)10-9-19(26)23-18-8-7-15(21)11-16(18)20(27)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,23,26)
InChIKeyZOUMHUAQFRBEEI-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.76
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide

N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide (PubChem CID 19543953) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
PubChem CID19543953
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H17Cl2N3O2/c1-13-17(22)12-25(24-13)10-9-19(26)23-18-8-7-15(21)11-16(18)20(27)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,23,26)
InChIKeyZOUMHUAQFRBEEI-UHFFFAOYSA-N
XLogP4.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide 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

3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525433
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]benzoic acid
CID 19584106
2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500505
N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 1124589
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
CID 19172248
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide (CID 19543953) is N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The InChIKey is ZOUMHUAQFRBEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-13-17(22)12-25(24-13)10-9-19(26)23-18-8-7-15(21)11-16(18)20(27)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,23,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide has a molecular weight of 402.28 g/mol, XLogP of 4.76, 6 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)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19543953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).