1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea

C16H15ClN2O3 — CID 108885167

IUPAC1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-11(20)12-3-2-4-14(9-12)19-16(21)18-10-22-15-7-5-13(17)6-8-15/h2-9H,10H2,1H3,(H2,18,19,21)
InChIKeyUCUNLBRUXAASPW-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea

1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea (PubChem CID 108885167) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
PubChem CID108885167
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-11(20)12-3-2-4-14(9-12)19-16(21)18-10-22-15-7-5-13(17)6-8-15/h2-9H,10H2,1H3,(H2,18,19,21)
InChIKeyUCUNLBRUXAASPW-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108878043
1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea
CID 108885219
1-(4-acetylphenyl)-3-(phenoxymethyl)urea
CID 108888840
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
CID 108880965
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890825
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea (CID 108885167) is 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea is CC(=O)c1cccc(NC(=O)NCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea?
The InChIKey is UCUNLBRUXAASPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11(20)12-3-2-4-14(9-12)19-16(21)18-10-22-15-7-5-13(17)6-8-15/h2-9H,10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea?
1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea has a molecular weight of 318.76 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea is sourced from PubChem (CID 108885167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).