1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea

C14H12ClN3O4 — CID 108875489

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O4/c1-22-13-7-2-9(15)8-12(13)17-14(19)16-10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H2,16,17,19)
InChIKeySUUYCQBWGWJGTO-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.90
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea (PubChem CID 108875489) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
PubChem CID108875489
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O4/c1-22-13-7-2-9(15)8-12(13)17-14(19)16-10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H2,16,17,19)
InChIKeySUUYCQBWGWJGTO-UHFFFAOYSA-N
XLogP3.90
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.90
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-(5-chloro-2-methoxyphenyl)-3-(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
1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108886216
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(4-nitroanilino)prop-2-enamide
CID 108827707
N-[4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 23098524
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
N-[4-[2-(5-chloro-2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 21169483
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 2963634
N-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3871737
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea (CID 108875489) is 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea?
The InChIKey is SUUYCQBWGWJGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-22-13-7-2-9(15)8-12(13)17-14(19)16-10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H2,16,17,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea has a molecular weight of 321.72 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 108875489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).