1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea

C18H15N3O3 — CID 6611556

IUPAC1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
SMILESCc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O3/c1-12-6-8-16(11-17(12)21(23)24)20-18(22)19-15-9-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H2,19,20,22)
InChIKeyNFVWOGRQQQMOTL-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.70
Rot. Bonds3

About 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea

1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea (PubChem CID 6611556) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
PubChem CID6611556
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
SMILESCc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O3/c1-12-6-8-16(11-17(12)21(23)24)20-18(22)19-15-9-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H2,19,20,22)
InChIKeyNFVWOGRQQQMOTL-UHFFFAOYSA-N
XLogP4.70
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.70
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-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 26575746
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(4-methyl-3-nitrophenyl)-3-pyrimidin-2-ylurea
CID 5072186
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801
ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
CID 143201282
1-hexyl-3-(4-methyl-3-nitrophenyl)urea
CID 47192495
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methyl-3-nitrophenyl)urea
CID 111452549
3-hydroxy-2-[(4-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 61184675
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea (CID 6611556) is 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea is Cc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea?
The InChIKey is NFVWOGRQQQMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12-6-8-16(11-17(12)21(23)24)20-18(22)19-15-9-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H2,19,20,22).
What are the key properties of 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea?
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea has a molecular weight of 321.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 6611556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).