1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea

C17H17ClN2O4 — CID 17270458

IUPAC1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C(C)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-10(21)11-4-6-12(7-5-11)19-17(22)20-14-9-15(23-2)13(18)8-16(14)24-3/h4-9H,1-3H3,(H2,19,20,22)
InChIKeyDMHLEAPBGPYKTC-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea

1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea (PubChem CID 17270458) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
PubChem CID17270458
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C(C)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-10(21)11-4-6-12(7-5-11)19-17(22)20-14-9-15(23-2)13(18)8-16(14)24-3/h4-9H,1-3H3,(H2,19,20,22)
InChIKeyDMHLEAPBGPYKTC-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
CID 3006462
[3-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865332
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea (CID 17270458) is 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(C(C)=O)cc2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The InChIKey is DMHLEAPBGPYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10(21)11-4-6-12(7-5-11)19-17(22)20-14-9-15(23-2)13(18)8-16(14)24-3/h4-9H,1-3H3,(H2,19,20,22).
What are the key properties of 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea has a molecular weight of 348.79 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 17270458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).