1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea

C12H15ClN2O2 — CID 115758945

IUPAC1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
SMILESCc1c(Cl)cccc1NC(=O)NC1CCOC1
InChIInChI=1S/C12H15ClN2O2/c1-8-10(13)3-2-4-11(8)15-12(16)14-9-5-6-17-7-9/h2-4,9H,5-7H2,1H3,(H2,14,15,16)
InChIKeyZNWKDIOBKKFNIM-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.56
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea

1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea (PubChem CID 115758945) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
PubChem CID115758945
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
SMILESCc1c(Cl)cccc1NC(=O)NC1CCOC1
InChIInChI=1S/C12H15ClN2O2/c1-8-10(13)3-2-4-11(8)15-12(16)14-9-5-6-17-7-9/h2-4,9H,5-7H2,1H3,(H2,14,15,16)
InChIKeyZNWKDIOBKKFNIM-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
1-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3-chloro-2-methylphenyl)urea
CID 155498559
1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
CID 72902026
1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515
N-(2,3-dichlorophenyl)oxolan-3-amine
CID 63331897
4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180528
1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 113321934
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea (CID 115758945) is 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea is Cc1c(Cl)cccc1NC(=O)NC1CCOC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea?
The InChIKey is ZNWKDIOBKKFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-10(13)3-2-4-11(8)15-12(16)14-9-5-6-17-7-9/h2-4,9H,5-7H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea?
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea has a molecular weight of 254.72 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).