1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea

C16H15ClN2O4 — CID 134113078

IUPAC1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
SMILESCC(Oc1ccc(NC(=O)NO)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O4/c1-10(15(20)11-2-4-12(17)5-3-11)23-14-8-6-13(7-9-14)18-16(21)19-22/h2-10,22H,1H3,(H2,18,19,21)
InChIKeyZTCHCIFZHAHKHK-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea

1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea (PubChem CID 134113078) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea.

Molecular Properties

Compound Name1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
PubChem CID134113078
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
SMILESCC(Oc1ccc(NC(=O)NO)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O4/c1-10(15(20)11-2-4-12(17)5-3-11)23-14-8-6-13(7-9-14)18-16(21)19-22/h2-10,22H,1H3,(H2,18,19,21)
InChIKeyZTCHCIFZHAHKHK-UHFFFAOYSA-N
XLogP3.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879726
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
CID 177371105
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
N-[4-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 41065885

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea?
The IUPAC name of 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea (CID 134113078) is 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea.
What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea?
The canonical SMILES for 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea is CC(Oc1ccc(NC(=O)NO)cc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea?
The InChIKey is ZTCHCIFZHAHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10(15(20)11-2-4-12(17)5-3-11)23-14-8-6-13(7-9-14)18-16(21)19-22/h2-10,22H,1H3,(H2,18,19,21).
What are the key properties of 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea?
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea has a molecular weight of 334.76 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea is sourced from PubChem (CID 134113078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).