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

C16H17N3O4 — CID 46196416

IUPAC1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C16H17N3O4/c1-2-5-11-6-3-4-7-13(11)17-16(21)18-14-9-8-12(19(22)23)10-15(14)20/h3-4,6-10,20H,2,5H2,1H3,(H2,17,18,21)
InChIKeyJUDBHAHZZZIVPA-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.90
Rot. Bonds5

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

1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea (PubChem CID 46196416) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
PubChem CID46196416
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C16H17N3O4/c1-2-5-11-6-3-4-7-13(11)17-16(21)18-14-9-8-12(19(22)23)10-15(14)20/h3-4,6-10,20H,2,5H2,1H3,(H2,17,18,21)
InChIKeyJUDBHAHZZZIVPA-UHFFFAOYSA-N
XLogP3.90
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
CID 21184645
1-(2-hydroxy-4-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 157365653
1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea
CID 57185381
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
CID 62507468
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
(2S)-2-bromo-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 52904928
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
(2S,3S)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3-methylpentanamide
CID 107744120
2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
CID 31870599

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea (CID 46196416) is 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea is CCCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea?
The InChIKey is JUDBHAHZZZIVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-2-5-11-6-3-4-7-13(11)17-16(21)18-14-9-8-12(19(22)23)10-15(14)20/h3-4,6-10,20H,2,5H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea?
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea has a molecular weight of 315.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea is sourced from PubChem (CID 46196416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).