N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide

C19H14Cl2N4O4 — CID 1124589

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H14Cl2N4O4/c1-11-17(21)19(25(28)29)23-24(11)10-16(26)22-15-8-7-13(20)9-14(15)18(27)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,22,26)
InChIKeyQKPHRJBGGSUODX-UHFFFAOYSA-N
MW433.25 g/mol
LogP4.28
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 1124589) has the molecular formula C19H14Cl2N4O4 and a molecular weight of 433.25 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID1124589
Molecular FormulaC19H14Cl2N4O4
Molecular Weight433.25 g/mol
Exact Mass432.04
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H14Cl2N4O4/c1-11-17(21)19(25(28)29)23-24(11)10-16(26)22-15-8-7-13(20)9-14(15)18(27)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,22,26)
InChIKeyQKPHRJBGGSUODX-UHFFFAOYSA-N
XLogP4.28
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525433
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19529280
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19529284
N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19497271
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19543953
N-[3-bromo-1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 1223575
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 749103
N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide
CID 1182886
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 1019735
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 4512304

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (CID 1124589) is N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is QKPHRJBGGSUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O4/c1-11-17(21)19(25(28)29)23-24(11)10-16(26)22-15-8-7-13(20)9-14(15)18(27)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,22,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 433.25 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1124589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).