1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone

C14H18ClNO2 — CID 43796611

IUPAC1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
SMILESCCC1CN(CC(=O)c2cccc(Cl)c2)CCO1
InChIInChI=1S/C14H18ClNO2/c1-2-13-9-16(6-7-18-13)10-14(17)11-4-3-5-12(15)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3
InChIKeyKRXBLCRBHQJCBC-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone

1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone (PubChem CID 43796611) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
PubChem CID43796611
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
SMILESCCC1CN(CC(=O)c2cccc(Cl)c2)CCO1
InChIInChI=1S/C14H18ClNO2/c1-2-13-9-16(6-7-18-13)10-14(17)11-4-3-5-12(15)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3
InChIKeyKRXBLCRBHQJCBC-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
CID 43796552
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796615
1-(3-chlorophenyl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973972
1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794567
1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777497
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204171
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
3-(2-ethylmorpholin-4-yl)benzoic acid
CID 102822701

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone (CID 43796611) is 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone is CCC1CN(CC(=O)c2cccc(Cl)c2)CCO1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone?
The InChIKey is KRXBLCRBHQJCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-13-9-16(6-7-18-13)10-14(17)11-4-3-5-12(15)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone?
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43796611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).