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

C14H10N4O3 — CID 43386590

IUPAC1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H10N4O3/c15-9-10-1-3-11(4-2-10)16-14(19)17-12-5-7-13(8-6-12)18(20)21/h1-8H,(H2,16,17,19)
InChIKeyXFKLUYNLNIOZOC-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.11
Rot. Bonds3

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

1-(4-cyanophenyl)-3-(4-nitrophenyl)urea (PubChem CID 43386590) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
PubChem CID43386590
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H10N4O3/c15-9-10-1-3-11(4-2-10)16-14(19)17-12-5-7-13(8-6-12)18(20)21/h1-8H,(H2,16,17,19)
InChIKeyXFKLUYNLNIOZOC-UHFFFAOYSA-N
XLogP3.11
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-cyanophenyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 22318883
1-cyano-N-(4-nitrophenyl)formamide
CID 10607728
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide
CID 78953284
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014
4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
CID 60630970
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091
1-(4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886342
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]acridin-3-yl]urea
CID 22503858
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea (CID 43386590) is 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea is N#Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea?
The InChIKey is XFKLUYNLNIOZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-9-10-1-3-11(4-2-10)16-14(19)17-12-5-7-13(8-6-12)18(20)21/h1-8H,(H2,16,17,19).
What are the key properties of 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea?
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea has a molecular weight of 282.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 43386590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).