3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea

C14H19ClN2O2 — CID 110875829

IUPAC3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCc1c(Cl)cccc1NC(=O)N(C)CC1CCOC1
InChIInChI=1S/C14H19ClN2O2/c1-10-12(15)4-3-5-13(10)16-14(18)17(2)8-11-6-7-19-9-11/h3-5,11H,6-9H2,1-2H3,(H,16,18)
InChIKeyOQDABJYQQDOZBT-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.15
Rot. Bonds3

About 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea

3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 110875829) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID110875829
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCc1c(Cl)cccc1NC(=O)N(C)CC1CCOC1
InChIInChI=1S/C14H19ClN2O2/c1-10-12(15)4-3-5-13(10)16-14(18)17(2)8-11-6-7-19-9-11/h3-5,11H,6-9H2,1-2H3,(H,16,18)
InChIKeyOQDABJYQQDOZBT-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97061195
3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875836
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
3-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-ylmethyl)-1-methylurea
CID 72903387
3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
CID 72849512
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 110875829) is 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is Cc1c(Cl)cccc1NC(=O)N(C)CC1CCOC1.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is OQDABJYQQDOZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-12(15)4-3-5-13(10)16-14(18)17(2)8-11-6-7-19-9-11/h3-5,11H,6-9H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 282.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 110875829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).