1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea

C17H18Cl2N2O — CID 13284551

IUPAC1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea
SMILESCC(CCl)CN(C(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-13(11-18)12-21(16-8-3-2-4-9-16)17(22)20-15-7-5-6-14(19)10-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyIEUISJXXDBOHNR-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.25
Rot. Bonds5

About 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea

1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea (PubChem CID 13284551) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea
PubChem CID13284551
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea
SMILESCC(CCl)CN(C(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-13(11-18)12-21(16-8-3-2-4-9-16)17(22)20-15-7-5-6-14(19)10-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyIEUISJXXDBOHNR-UHFFFAOYSA-N
XLogP5.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea 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-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
2-[N-[(3-chlorophenyl)carbamoyl]anilino]-N,N-dipentylacetamide
CID 18966478
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 44996296
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chlorophenyl)-1-propan-2-ylurea
CID 42762830
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea?
The IUPAC name of 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea (CID 13284551) is 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea.
What is the SMILES notation for 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea?
The canonical SMILES for 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea is CC(CCl)CN(C(=O)Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea?
The InChIKey is IEUISJXXDBOHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-13(11-18)12-21(16-8-3-2-4-9-16)17(22)20-15-7-5-6-14(19)10-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea?
1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea has a molecular weight of 337.25 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea is sourced from PubChem (CID 13284551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).