2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide

C16H16ClN3O2 — CID 110304605

IUPAC2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
SMILESO=C(CNC(=O)NCc1cccc(Cl)c1)Nc1ccccc1
InChIInChI=1S/C16H16ClN3O2/c17-13-6-4-5-12(9-13)10-18-16(22)19-11-15(21)20-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,21)(H2,18,19,22)
InChIKeyLQZLJCAHFMHCLW-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.78
Rot. Bonds5

About 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide

2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide (PubChem CID 110304605) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
PubChem CID110304605
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
SMILESO=C(CNC(=O)NCc1cccc(Cl)c1)Nc1ccccc1
InChIInChI=1S/C16H16ClN3O2/c17-13-6-4-5-12(9-13)10-18-16(22)19-11-15(21)20-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,21)(H2,18,19,22)
InChIKeyLQZLJCAHFMHCLW-UHFFFAOYSA-N
XLogP2.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide 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-[(3-chlorophenyl)methylcarbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110615523
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea
CID 110615762
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38260097
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
3-[(3-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428746

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide (CID 110304605) is 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide is O=C(CNC(=O)NCc1cccc(Cl)c1)Nc1ccccc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide?
The InChIKey is LQZLJCAHFMHCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-6-4-5-12(9-13)10-18-16(22)19-11-15(21)20-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide?
2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide has a molecular weight of 317.78 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide is sourced from PubChem (CID 110304605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).