1-amino-3-(4-phenoxyphenyl)urea;hydrochloride

C13H14ClN3O2 — CID 19701837

IUPAC1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
SMILESCl.NNC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H13N3O2.ClH/c14-16-13(17)15-10-6-8-12(9-7-10)18-11-4-2-1-3-5-11;/h1-9H,14H2,(H2,15,16,17);1H
InChIKeyIRJYDPRHKBDGQF-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.90
Rot. Bonds3

About 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride

1-amino-3-(4-phenoxyphenyl)urea;hydrochloride (PubChem CID 19701837) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
PubChem CID19701837
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
SMILESCl.NNC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H13N3O2.ClH/c14-16-13(17)15-10-6-8-12(9-7-10)18-11-4-2-1-3-5-11;/h1-9H,14H2,(H2,15,16,17);1H
InChIKeyIRJYDPRHKBDGQF-UHFFFAOYSA-N
XLogP2.90
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
1-amino-3-(4-phenoxyphenyl)thiourea
CID 2760348
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903164
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide
CID 4117087
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride?
The IUPAC name of 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride (CID 19701837) is 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride.
What is the SMILES notation for 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride?
The canonical SMILES for 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride is Cl.NNC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride?
The InChIKey is IRJYDPRHKBDGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2.ClH/c14-16-13(17)15-10-6-8-12(9-7-10)18-11-4-2-1-3-5-11;/h1-9H,14H2,(H2,15,16,17);1H.
What are the key properties of 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride?
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride has a molecular weight of 279.73 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-phenoxyphenyl)urea;hydrochloride is sourced from PubChem (CID 19701837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).