2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone

C14H18ClNO2 — CID 62224102

IUPAC2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
SMILESCCc1ccc(C(Cl)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H18ClNO2/c1-2-11-3-5-12(6-4-11)13(15)14(17)16-7-9-18-10-8-16/h3-6,13H,2,7-10H2,1H3
InChIKeyNUGLGZBYUKHURW-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone

2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone (PubChem CID 62224102) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
PubChem CID62224102
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
SMILESCCc1ccc(C(Cl)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H18ClNO2/c1-2-11-3-5-12(6-4-11)13(15)14(17)16-7-9-18-10-8-16/h3-6,13H,2,7-10H2,1H3
InChIKeyNUGLGZBYUKHURW-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone
CID 62224274
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004
2-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 75445681
N-(4-ethylphenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)methanesulfonamide
CID 50944900
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
CID 116860405
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
3-chloro-3-(4-ethylphenyl)-2-oxopropanoic acid
CID 87238068
2-chloro-1-morpholin-4-yl-2-quinolin-6-ylethanone
CID 63969943
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone (CID 62224102) is 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone is CCc1ccc(C(Cl)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone?
The InChIKey is NUGLGZBYUKHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-11-3-5-12(6-4-11)13(15)14(17)16-7-9-18-10-8-16/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone?
2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone has a molecular weight of 267.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 62224102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).