1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea

C15H14ClN3O3 — CID 27868402

IUPAC1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea
SMILESCN(Cc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14ClN3O3/c1-18(10-11-5-2-3-8-14(11)16)15(20)17-12-6-4-7-13(9-12)19(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKeyXYWZLSMOYJBRNE-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.91
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea

1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea (PubChem CID 27868402) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea
PubChem CID27868402
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea
SMILESCN(Cc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14ClN3O3/c1-18(10-11-5-2-3-8-14(11)16)15(20)17-12-6-4-7-13(9-12)19(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKeyXYWZLSMOYJBRNE-UHFFFAOYSA-N
XLogP3.91
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea 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-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3-nitrophenyl)urea
CID 64512305
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633461
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 31682826
3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
CID 38925954
1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 55698785
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 29200340
3-N-[(2-chlorophenyl)methyl]-1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80777284
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
ethane;N-(3-nitrophenyl)acetamide
CID 90876834

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea (CID 27868402) is 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea is CN(Cc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea?
The InChIKey is XYWZLSMOYJBRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-18(10-11-5-2-3-8-14(11)16)15(20)17-12-6-4-7-13(9-12)19(21)22/h2-9H,10H2,1H3,(H,17,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea?
1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea has a molecular weight of 319.75 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea is sourced from PubChem (CID 27868402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).