1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea

C14H11Cl2N3O4 — CID 2963634

IUPAC1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O4/c1-23-13-7-9(19(21)22)3-5-12(13)18-14(20)17-8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H2,17,18,20)
InChIKeyWYQJKNXBNKOSPM-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.55
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea

1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea (PubChem CID 2963634) has the molecular formula C14H11Cl2N3O4 and a molecular weight of 356.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
PubChem CID2963634
Molecular FormulaC14H11Cl2N3O4
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O4/c1-23-13-7-9(19(21)22)3-5-12(13)18-14(20)17-8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H2,17,18,20)
InChIKeyWYQJKNXBNKOSPM-UHFFFAOYSA-N
XLogP4.55
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-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

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17282033
1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
CID 108866532
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 2957594
1-(4-methoxy-2-methylphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 17381058
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
(3,4-dichlorophenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9251612
1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108886216

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea (CID 2963634) is 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea is COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea?
The InChIKey is WYQJKNXBNKOSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O4/c1-23-13-7-9(19(21)22)3-5-12(13)18-14(20)17-8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H2,17,18,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea?
1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea has a molecular weight of 356.17 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea is sourced from PubChem (CID 2963634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).