1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea

C15H18Cl2N2O2 — CID 126775286

IUPAC1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
SMILESO=C(Nc1cccc(Cl)c1Cl)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-2-1-3-13(14(12)17)18-15(20)19(11-4-5-11)8-10-6-7-21-9-10/h1-3,10-11H,4-9H2,(H,18,20)
InChIKeyMRHJWKVIFIBIOX-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.03
Rot. Bonds4

About 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea (PubChem CID 126775286) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
PubChem CID126775286
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
SMILESO=C(Nc1cccc(Cl)c1Cl)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-2-1-3-13(14(12)17)18-15(20)19(11-4-5-11)8-10-6-7-21-9-10/h1-3,10-11H,4-9H2,(H,18,20)
InChIKeyMRHJWKVIFIBIOX-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032244
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
3-(2-chloro-4-nitrophenyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86987287
2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999635
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea
CID 3833190
3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999680

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea (CID 126775286) is 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea is O=C(Nc1cccc(Cl)c1Cl)N(CC1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea?
The InChIKey is MRHJWKVIFIBIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-12-2-1-3-13(14(12)17)18-15(20)19(11-4-5-11)8-10-6-7-21-9-10/h1-3,10-11H,4-9H2,(H,18,20).
What are the key properties of 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea has a molecular weight of 329.23 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 126775286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).