2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide

C20H21ClN4O2 — CID 172629982

IUPAC2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide
SMILESCc1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn(C)c2)c1.NC=O
InChIInChI=1S/C19H18ClN3O.CH3NO/c1-13-7-15(16-11-21-23(2)12-16)9-17(8-13)22-19(24)10-14-5-3-4-6-18(14)20;2-1-3/h3-9,11-12H,10H2,1-2H3,(H,22,24);1H,(H2,2,3)
InChIKeyKKGVXWPBHDHBII-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.33
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide

2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide (PubChem CID 172629982) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide
PubChem CID172629982
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide
SMILESCc1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn(C)c2)c1.NC=O
InChIInChI=1S/C19H18ClN3O.CH3NO/c1-13-7-15(16-11-21-23(2)12-16)9-17(8-13)22-19(24)10-14-5-3-4-6-18(14)20;2-1-3/h3-9,11-12H,10H2,1-2H3,(H,22,24);1H,(H2,2,3)
InChIKeyKKGVXWPBHDHBII-UHFFFAOYSA-N
XLogP3.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide 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

N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 172630069
N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 172630085
2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide
CID 134588333
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide
CID 172630072
2-(2-chlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)acetamide
CID 110734848
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
CID 110479939
2-(2-chlorophenyl)-N-[3-(5-chloro-3-pyridinyl)-5-sulfamoylphenyl]acetamide
CID 134588591
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535389
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-(2-chlorophenyl)-2,2-difluoroacetamide
CID 172630073

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide (CID 172629982) is 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide is Cc1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn(C)c2)c1.NC=O.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide?
The InChIKey is KKGVXWPBHDHBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O.CH3NO/c1-13-7-15(16-11-21-23(2)12-16)9-17(8-13)22-19(24)10-14-5-3-4-6-18(14)20;2-1-3/h3-9,11-12H,10H2,1-2H3,(H,22,24);1H,(H2,2,3).
What are the key properties of 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide?
2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide has a molecular weight of 384.87 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide is sourced from PubChem (CID 172629982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).