1-(2-methyl-6-nitrophenyl)-3-phenylurea

C14H13N3O3 — CID 3703717

IUPAC1-(2-methyl-6-nitrophenyl)-3-phenylurea
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O3/c1-10-6-5-9-12(17(19)20)13(10)16-14(18)15-11-7-3-2-4-8-11/h2-9H,1H3,(H2,15,16,18)
InChIKeyHGTMDGPUURFEHW-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-methyl-6-nitrophenyl)-3-phenylurea

1-(2-methyl-6-nitrophenyl)-3-phenylurea (PubChem CID 3703717) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(2-methyl-6-nitrophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methyl-6-nitrophenyl)-3-phenylurea
PubChem CID3703717
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-(2-methyl-6-nitrophenyl)-3-phenylurea
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O3/c1-10-6-5-9-12(17(19)20)13(10)16-14(18)15-11-7-3-2-4-8-11/h2-9H,1H3,(H2,15,16,18)
InChIKeyHGTMDGPUURFEHW-UHFFFAOYSA-N
XLogP3.55
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.55
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

N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide
CID 8545864
2-methyl-6-[(2-nitrophenyl)carbamoylamino]benzoic acid
CID 23444552
N-bromo-2-methyl-6-nitroaniline
CID 140553007
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
CID 13478077
1-(5-nitrothiophen-2-yl)-3-phenylurea
CID 121219125
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-nitrophenyl)-3-phenylurea?
The IUPAC name of 1-(2-methyl-6-nitrophenyl)-3-phenylurea (CID 3703717) is 1-(2-methyl-6-nitrophenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-methyl-6-nitrophenyl)-3-phenylurea?
The canonical SMILES for 1-(2-methyl-6-nitrophenyl)-3-phenylurea is Cc1cccc([N+](=O)[O-])c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-methyl-6-nitrophenyl)-3-phenylurea?
The InChIKey is HGTMDGPUURFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-6-5-9-12(17(19)20)13(10)16-14(18)15-11-7-3-2-4-8-11/h2-9H,1H3,(H2,15,16,18).
What are the key properties of 1-(2-methyl-6-nitrophenyl)-3-phenylurea?
1-(2-methyl-6-nitrophenyl)-3-phenylurea has a molecular weight of 271.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-nitrophenyl)-3-phenylurea is sourced from PubChem (CID 3703717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).