1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea

C14H11Cl2N3O4 — CID 108886216

IUPAC1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2N3O4/c1-23-13-5-3-9(19(21)22)7-12(13)18-14(20)17-11-6-8(15)2-4-10(11)16/h2-7H,1H3,(H2,17,18,20)
InChIKeyOTFZWNXXIURTBH-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.55
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea

1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea (PubChem CID 108886216) has the molecular formula C14H11Cl2N3O4 and a molecular weight of 356.17 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
PubChem CID108886216
Molecular FormulaC14H11Cl2N3O4
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2N3O4/c1-23-13-5-3-9(19(21)22)7-12(13)18-14(20)17-11-6-8(15)2-4-10(11)16/h2-7H,1H3,(H2,17,18,20)
InChIKeyOTFZWNXXIURTBH-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'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7862773
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 7986614
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061
2-(2,4-dichlorophenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]propanamide
CID 5185381

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea (CID 108886216) is 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea is COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea?
The InChIKey is OTFZWNXXIURTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O4/c1-23-13-5-3-9(19(21)22)7-12(13)18-14(20)17-11-6-8(15)2-4-10(11)16/h2-7H,1H3,(H2,17,18,20).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea?
1-(2,5-dichlorophenyl)-3-(2-methoxy-5-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-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea is sourced from PubChem (CID 108886216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).