2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide

C13H15Cl2NO2 — CID 146076468

IUPAC2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
SMILESO=C(CCl)NC1(Cc2cccc(Cl)c2)CCOC1
InChIInChI=1S/C13H15Cl2NO2/c14-8-12(17)16-13(4-5-18-9-13)7-10-2-1-3-11(15)6-10/h1-3,6H,4-5,7-9H2,(H,16,17)
InChIKeyGQNPJAYHPBIPSK-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.40
Rot. Bonds4

About 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide

2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide (PubChem CID 146076468) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
PubChem CID146076468
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
SMILESO=C(CCl)NC1(Cc2cccc(Cl)c2)CCOC1
InChIInChI=1S/C13H15Cl2NO2/c14-8-12(17)16-13(4-5-18-9-13)7-10-2-1-3-11(15)6-10/h1-3,6H,4-5,7-9H2,(H,16,17)
InChIKeyGQNPJAYHPBIPSK-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide
CID 154849787
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
CID 106300559
3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde
CID 130663247
N-[4-[3-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]amino]propoxy]phenyl]-N-methylmethanesulfonamide
CID 172620566
4-(chloromethyl)-4-[(3-chlorophenyl)methyl]oxane
CID 66033526
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889569
N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide
CID 146083807
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 138992555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide (CID 146076468) is 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide is O=C(CCl)NC1(Cc2cccc(Cl)c2)CCOC1.
What is the InChIKey of 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide?
The InChIKey is GQNPJAYHPBIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-8-12(17)16-13(4-5-18-9-13)7-10-2-1-3-11(15)6-10/h1-3,6H,4-5,7-9H2,(H,16,17).
What are the key properties of 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide?
2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide has a molecular weight of 288.17 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide is sourced from PubChem (CID 146076468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).