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

C14H11Cl2N3O3 — CID 5122789

IUPAC1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2N3O3/c1-8-2-4-10(19(21)22)7-12(8)17-14(20)18-13-6-9(15)3-5-11(13)16/h2-7H,1H3,(H2,17,18,20)
InChIKeyHQEYHEZWULPSTO-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.85
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea (PubChem CID 5122789) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
PubChem CID5122789
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2N3O3/c1-8-2-4-10(19(21)22)7-12(8)17-14(20)18-13-6-9(15)3-5-11(13)16/h2-7H,1H3,(H2,17,18,20)
InChIKeyHQEYHEZWULPSTO-UHFFFAOYSA-N
XLogP4.85
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7870436
1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 62105248
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 9104529
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 2957470
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea (CID 5122789) is 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea is Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea?
The InChIKey is HQEYHEZWULPSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c1-8-2-4-10(19(21)22)7-12(8)17-14(20)18-13-6-9(15)3-5-11(13)16/h2-7H,1H3,(H2,17,18,20).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea?
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea has a molecular weight of 340.17 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea is sourced from PubChem (CID 5122789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).