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

C15H14ClN3O5 — CID 108875488

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H14ClN3O5/c1-23-13-6-3-9(16)7-12(13)18-15(20)17-11-5-4-10(19(21)22)8-14(11)24-2/h3-8H,1-2H3,(H2,17,18,20)
InChIKeyBENLUFKJMSJSCD-UHFFFAOYSA-N
MW351.75 g/mol
LogP3.91
Rot. Bonds5

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

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea (PubChem CID 108875488) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
PubChem CID108875488
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H14ClN3O5/c1-23-13-6-3-9(16)7-12(13)18-15(20)17-11-5-4-10(19(21)22)8-14(11)24-2/h3-8H,1-2H3,(H2,17,18,20)
InChIKeyBENLUFKJMSJSCD-UHFFFAOYSA-N
XLogP3.91
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108886216
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 2963634
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 127074411
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
1-[1-(4-chlorophenoxy)ethyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108879805
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea (CID 108875488) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea?
The InChIKey is BENLUFKJMSJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-23-13-6-3-9(16)7-12(13)18-15(20)17-11-5-4-10(19(21)22)8-14(11)24-2/h3-8H,1-2H3,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea has a molecular weight of 351.75 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea is sourced from PubChem (CID 108875488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).