1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea

C15H14N2O4 — CID 108895413

IUPAC1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-9(18)10-2-4-11(5-3-10)16-15(21)17-12-6-13(19)8-14(20)7-12/h2-8,19-20H,1H3,(H2,16,17,21)
InChIKeyLDIKMSBMBNQBPZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea

1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea (PubChem CID 108895413) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
PubChem CID108895413
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-9(18)10-2-4-11(5-3-10)16-15(21)17-12-6-13(19)8-14(20)7-12/h2-8,19-20H,1H3,(H2,16,17,21)
InChIKeyLDIKMSBMBNQBPZ-UHFFFAOYSA-N
XLogP2.94
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64782791
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride
CID 2756280
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860
N-[4-(3,5-dihydroxyanilino)phenyl]acetamide
CID 139679971
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea (CID 108895413) is 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea is CC(=O)c1ccc(NC(=O)Nc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea?
The InChIKey is LDIKMSBMBNQBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(18)10-2-4-11(5-3-10)16-15(21)17-12-6-13(19)8-14(20)7-12/h2-8,19-20H,1H3,(H2,16,17,21).
What are the key properties of 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea?
1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea has a molecular weight of 286.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea is sourced from PubChem (CID 108895413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).