3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea

C20H17N3O4 — CID 3430269

IUPAC3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3O4/c1-27-19-13-12-17(23(25)26)14-18(19)21-20(24)22(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24)
InChIKeyDVQUJBBGEZOOIU-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.97
Rot. Bonds5

About 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea

3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea (PubChem CID 3430269) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea.

Molecular Properties

Compound Name3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
PubChem CID3430269
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3O4/c1-27-19-13-12-17(23(25)26)14-18(19)21-20(24)22(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24)
InChIKeyDVQUJBBGEZOOIU-UHFFFAOYSA-N
XLogP4.97
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
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 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea 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

phenyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 12941467
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903362
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108532358
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905
N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108520495
1-[(1,3-dioxoisoindol-2-yl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 19258999
2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9101632
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea?
The IUPAC name of 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea (CID 3430269) is 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea.
What is the SMILES notation for 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea?
The canonical SMILES for 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea is COc1ccc([N+](=O)[O-])cc1NC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea?
The InChIKey is DVQUJBBGEZOOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-19-13-12-17(23(25)26)14-18(19)21-20(24)22(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24).
What are the key properties of 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea?
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea has a molecular weight of 363.37 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea is sourced from PubChem (CID 3430269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).