1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea

C14H13N3O4 — CID 64793841

IUPAC1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea
SMILESCc1c(O)cccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O4/c1-9-12(3-2-4-13(9)18)16-14(19)15-10-5-7-11(8-6-10)17(20)21/h2-8,18H,1H3,(H2,15,16,19)
InChIKeyNDGGWPXZGZQZTJ-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.25
Rot. Bonds3

About 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea

1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea (PubChem CID 64793841) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea
PubChem CID64793841
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea
SMILESCc1c(O)cccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O4/c1-9-12(3-2-4-13(9)18)16-14(19)15-10-5-7-11(8-6-10)17(20)21/h2-8,18H,1H3,(H2,15,16,19)
InChIKeyNDGGWPXZGZQZTJ-UHFFFAOYSA-N
XLogP3.25
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.25
H-Bond Donors ≤ 53
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-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-(4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886342
2-(2,3-dimethylanilino)-N-(4-nitrophenyl)propanamide
CID 46799647
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
1-(4-nitrophenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
CID 157090092
N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
CID 5230659
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-nitrophenyl)urea
CID 104620513
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011
N-(3-hydroxy-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 64793808
2-methyl-3-(4-nitroanilino)benzoic acid
CID 4763865
1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea (CID 64793841) is 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea is Cc1c(O)cccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea?
The InChIKey is NDGGWPXZGZQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-12(3-2-4-13(9)18)16-14(19)15-10-5-7-11(8-6-10)17(20)21/h2-8,18H,1H3,(H2,15,16,19).
What are the key properties of 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea?
1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea has a molecular weight of 287.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 64793841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).