1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea

C14H18Cl2N2O2 — CID 94198918

IUPAC1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C14H18Cl2N2O2/c1-18(8-11-4-12(15)6-13(16)5-11)14(19)17-7-10-2-3-20-9-10/h4-6,10H,2-3,7-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyUGKREVBKOPTBCC-JTQLQIEISA-N
MW317.22 g/mol
LogP3.17
Rot. Bonds4

About 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea

1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 94198918) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID94198918
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C14H18Cl2N2O2/c1-18(8-11-4-12(15)6-13(16)5-11)14(19)17-7-10-2-3-20-9-10/h4-6,10H,2-3,7-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyUGKREVBKOPTBCC-JTQLQIEISA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[methyl-[[(3S)-oxolan-3-yl]methylcarbamoyl]amino]methyl]benzoate
CID 94124279
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94124276
1-[(3,4-dichlorophenyl)methyl]-1,2-dimethyl-3-(oxolan-3-ylmethyl)guanidine
CID 111306025
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-(oxolan-3-ylmethyl)guanidine
CID 86777646
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
1,2-dimethyl-3-(oxolan-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 86777647
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
4-(aminomethyl)-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511292

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea (CID 94198918) is 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCOC1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is UGKREVBKOPTBCC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-18(8-11-4-12(15)6-13(16)5-11)14(19)17-7-10-2-3-20-9-10/h4-6,10H,2-3,7-9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea?
1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 317.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94198918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).