N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane

C12H18ClNO2 — CID 177170822

IUPACN-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
SMILESCC.CC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2.C2H6/c1-8(13)12-5-6-14-10-4-2-3-9(11)7-10;1-2/h2-4,7H,5-6H2,1H3,(H,12,13);1-2H3
InChIKeyWQGIBCZPDOCQNZ-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.88
Rot. Bonds4

About N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane

N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane (PubChem CID 177170822) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
PubChem CID177170822
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
SMILESCC.CC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2.C2H6/c1-8(13)12-5-6-14-10-4-2-3-9(11)7-10;1-2/h2-4,7H,5-6H2,1H3,(H,12,13);1-2H3
InChIKeyWQGIBCZPDOCQNZ-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
1-[2-(3-chlorophenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112970797
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
CID 119735014
cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94182100
N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
CID 55744579

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane (CID 177170822) is N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane is CC.CC(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane?
The InChIKey is WQGIBCZPDOCQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2.C2H6/c1-8(13)12-5-6-14-10-4-2-3-9(11)7-10;1-2/h2-4,7H,5-6H2,1H3,(H,12,13);1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane?
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane has a molecular weight of 243.73 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane is sourced from PubChem (CID 177170822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).