3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide

C13H18ClN3O2 — CID 56813966

IUPAC3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)NCc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C13H18ClN3O2/c1-13(2,11(15)18)8-17-12(19)16-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyYDGXMDQRBQNKSR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.65
Rot. Bonds5

About 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide

3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide (PubChem CID 56813966) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
PubChem CID56813966
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)NCc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C13H18ClN3O2/c1-13(2,11(15)18)8-17-12(19)16-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyYDGXMDQRBQNKSR-UHFFFAOYSA-N
XLogP1.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide 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

1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
3-[(4-chlorophenyl)methylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173045
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724283
2,2-dimethyl-3-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
CID 115428681
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
1-[(4-chlorophenyl)methyl]-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 111499071
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 121085776
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide
CID 87003610
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
CID 19429474
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide (CID 56813966) is 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide is CC(C)(CNC(=O)NCc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide?
The InChIKey is YDGXMDQRBQNKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-13(2,11(15)18)8-17-12(19)16-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide?
3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide has a molecular weight of 283.76 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 56813966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).