N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide

C16H21Cl2NO3 — CID 75470667

IUPACN-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)N(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H21Cl2NO3/c17-14-2-1-13(9-15(14)18)11-19(5-6-20)16(21)10-12-3-7-22-8-4-12/h1-2,9,12,20H,3-8,10-11H2
InChIKeyUVFAVPLHYDLVFL-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.13
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide

N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide (PubChem CID 75470667) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
PubChem CID75470667
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)N(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H21Cl2NO3/c17-14-2-1-13(9-15(14)18)11-19(5-6-20)16(21)10-12-3-7-22-8-4-12/h1-2,9,12,20H,3-8,10-11H2
InChIKeyUVFAVPLHYDLVFL-UHFFFAOYSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
CID 62622306
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120649694
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
CID 119740757
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3,4-dichlorophenyl)methyl]-N-(3-hydroxypropyl)acetamide
CID 98234498
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide
CID 120789290
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 102684283
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387334
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 75496845

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide (CID 75470667) is N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)N(CCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide?
The InChIKey is UVFAVPLHYDLVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c17-14-2-1-13(9-15(14)18)11-19(5-6-20)16(21)10-12-3-7-22-8-4-12/h1-2,9,12,20H,3-8,10-11H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide has a molecular weight of 346.25 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 75470667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).