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

C15H15N3O4 — CID 21184795

IUPAC1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H15N3O4/c1-2-10-5-3-4-6-12(10)16-15(20)17-13-8-7-11(18(21)22)9-14(13)19/h3-9,19H,2H2,1H3,(H2,16,17,20)
InChIKeyPZBLZIXURGLVNI-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.51
Rot. Bonds4

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

1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea (PubChem CID 21184795) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
PubChem CID21184795
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H15N3O4/c1-2-10-5-3-4-6-12(10)16-15(20)17-13-8-7-11(18(21)22)9-14(13)19/h3-9,19H,2H2,1H3,(H2,16,17,20)
InChIKeyPZBLZIXURGLVNI-UHFFFAOYSA-N
XLogP3.51
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.51
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-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
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
2-amino-N-(2-ethylphenyl)-5-nitrobenzamide
CID 62059857
N-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085
(2S)-2-bromo-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 52904928
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
2-(benzylamino)-N-(2-ethylphenyl)-5-nitrobenzamide
CID 8839306
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
(2S,3S)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3-methylpentanamide
CID 107744120

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea (CID 21184795) is 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea is CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The InChIKey is PZBLZIXURGLVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-10-5-3-4-6-12(10)16-15(20)17-13-8-7-11(18(21)22)9-14(13)19/h3-9,19H,2H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea has a molecular weight of 301.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea is sourced from PubChem (CID 21184795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).