1-cyclohexyl-3-(4-nitrophenyl)urea

C13H17N3O3 — CID 4299916

IUPAC1-cyclohexyl-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCCCC1
InChIInChI=1S/C13H17N3O3/c17-13(14-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(18)19/h6-10H,1-5H2,(H2,14,15,17)
InChIKeyQMNOMDSHMIVKNV-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.05
Rot. Bonds3

About 1-cyclohexyl-3-(4-nitrophenyl)urea

1-cyclohexyl-3-(4-nitrophenyl)urea (PubChem CID 4299916) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-nitrophenyl)urea
PubChem CID4299916
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-cyclohexyl-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCCCC1
InChIInChI=1S/C13H17N3O3/c17-13(14-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(18)19/h6-10H,1-5H2,(H2,14,15,17)
InChIKeyQMNOMDSHMIVKNV-UHFFFAOYSA-N
XLogP3.05
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.05
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

4,4'-Dinitrocarbanilide
CID 9509
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
N-Ethyl-4-nitroaniline
CID 19318
N-Cyclopentyl-N'-phenylurea
CID 25740
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453
1-(3-Nitrophenyl)-3-phenylurea
CID 302800
N-Cyclohexyl-N'-(4-Iodophenyl)Urea
CID 4357
N-Cyclohexyl-N'-phenylurea
CID 13451
1,3-Bis(3-nitrophenyl)urea
CID 237811
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-cyclopentyl-4-nitroaniline
CID 4426323
1-Cyclohexyl-1-methyl-3-phenylurea
CID 2813892

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-nitrophenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-nitrophenyl)urea (CID 4299916) is 1-cyclohexyl-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-nitrophenyl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-nitrophenyl)urea?
The InChIKey is QMNOMDSHMIVKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(14-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(18)19/h6-10H,1-5H2,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(4-nitrophenyl)urea?
1-cyclohexyl-3-(4-nitrophenyl)urea has a molecular weight of 263.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-nitrophenyl)urea is sourced from PubChem (CID 4299916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).