1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea

C14H19ClN2O3 — CID 86862826

IUPAC1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)C2CCCO2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-9(13-4-3-7-20-13)16-14(18)17-12-6-5-10(19-2)8-11(12)15/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,16,17,18)
InChIKeyWWRKKAITQIFASQ-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.04
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea

1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 86862826) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID86862826
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)C2CCCO2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-9(13-4-3-7-20-13)16-14(18)17-12-6-5-10(19-2)8-11(12)15/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,16,17,18)
InChIKeyWWRKKAITQIFASQ-UHFFFAOYSA-N
XLogP3.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6467333
1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95596162
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-[2-bromo-4-(trifluoromethoxy)phenyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97327842
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95157998
2-chloro-6-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63724489
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 93044901
3-fluoro-4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63190371
5-fluoro-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198695
5-bromo-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 62074010
1-(3-bromo-4-methoxyphenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 96530944
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 86862826) is 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is COc1ccc(NC(=O)NC(C)C2CCCO2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is WWRKKAITQIFASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(13-4-3-7-20-13)16-14(18)17-12-6-5-10(19-2)8-11(12)15/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 298.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 86862826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).