2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide

C17H19ClN4O2 — CID 110407251

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN4O2/c1-22(2)15-9-7-13(8-10-15)20-16(23)11-19-17(24)21-14-5-3-12(18)4-6-14/h3-10H,11H2,1-2H3,(H,20,23)(H2,19,21,24)
InChIKeyAFKASGWGGUOVOI-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.17
Rot. Bonds5

About 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 110407251) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID110407251
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN4O2/c1-22(2)15-9-7-13(8-10-15)20-16(23)11-19-17(24)21-14-5-3-12(18)4-6-14/h3-10H,11H2,1-2H3,(H,20,23)(H2,19,21,24)
InChIKeyAFKASGWGGUOVOI-UHFFFAOYSA-N
XLogP3.17
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide 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

2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
CID 86862600
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
CID 108949854
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110615374
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008440
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide (CID 110407251) is 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is AFKASGWGGUOVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-22(2)15-9-7-13(8-10-15)20-16(23)11-19-17(24)21-14-5-3-12(18)4-6-14/h3-10H,11H2,1-2H3,(H,20,23)(H2,19,21,24).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 346.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 110407251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).