1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea

C15H15N3O3 — CID 19165614

IUPAC1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C15H15N3O3/c1-10-5-3-4-6-13(10)16-15(19)17-14-9-12(18(20)21)8-7-11(14)2/h3-9H,1-2H3,(H2,16,17,19)
InChIKeySSLPLERMEAUGKG-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.86
Rot. Bonds3

About 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea

1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea (PubChem CID 19165614) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
PubChem CID19165614
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C15H15N3O3/c1-10-5-3-4-6-13(10)16-15(19)17-14-9-12(18(20)21)8-7-11(14)2/h3-9H,1-2H3,(H2,16,17,19)
InChIKeySSLPLERMEAUGKG-UHFFFAOYSA-N
XLogP3.86
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.86
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-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 42070489
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
1-(N-methyl-2,4-dinitroanilino)-3-(2-methylphenyl)urea
CID 4052831
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
1-(2-methyl-5-nitrophenyl)-3-phenylthiourea
CID 686935
2,3-dimethyl-4-(2-methyl-5-nitroanilino)-4-oxobutanoic acid
CID 103496518
4-[(2-methyl-5-nitrophenyl)carbamoylamino]butanoic acid
CID 122073503
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
(2-methyl-5-nitroanilino)carbamic acid
CID 174219510

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea (CID 19165614) is 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea?
The InChIKey is SSLPLERMEAUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-5-3-4-6-13(10)16-15(19)17-14-9-12(18(20)21)8-7-11(14)2/h3-9H,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea?
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea has a molecular weight of 285.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 19165614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).