1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone

C15H19Cl2NO3 — CID 114950486

IUPAC1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cc(Cl)ccc1Cl)CC1(O)CCOCC1
InChIInChI=1S/C15H19Cl2NO3/c1-18(10-15(20)4-6-21-7-5-15)9-14(19)12-8-11(16)2-3-13(12)17/h2-3,8,20H,4-7,9-10H2,1H3
InChIKeyCDYDCPMSWKFWJT-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.65
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone

1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone (PubChem CID 114950486) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
PubChem CID114950486
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cc(Cl)ccc1Cl)CC1(O)CCOCC1
InChIInChI=1S/C15H19Cl2NO3/c1-18(10-15(20)4-6-21-7-5-15)9-14(19)12-8-11(16)2-3-13(12)17/h2-3,8,20H,4-7,9-10H2,1H3
InChIKeyCDYDCPMSWKFWJT-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950493
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
1-(3,4-dimethylphenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950501
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680843
1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661947
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114948839

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone (CID 114950486) is 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone is CN(CC(=O)c1cc(Cl)ccc1Cl)CC1(O)CCOCC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone?
The InChIKey is CDYDCPMSWKFWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-18(10-15(20)4-6-21-7-5-15)9-14(19)12-8-11(16)2-3-13(12)17/h2-3,8,20H,4-7,9-10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone?
1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone has a molecular weight of 332.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone is sourced from PubChem (CID 114950486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).