(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone

C13H15ClFNO2 — CID 60733638

IUPAC(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Cl)ccc2F)CCO1
InChIInChI=1S/C13H15ClFNO2/c1-2-10-8-16(5-6-18-10)13(17)11-7-9(14)3-4-12(11)15/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyVPTDDISDVNFSEJ-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.73
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone

(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 60733638) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID60733638
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Cl)ccc2F)CCO1
InChIInChI=1S/C13H15ClFNO2/c1-2-10-8-16(5-6-18-10)13(17)11-7-9(14)3-4-12(11)15/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyVPTDDISDVNFSEJ-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562755
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62814552
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
(2,6-difluoro-3-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 103740582
[2-(bromomethyl)morpholin-4-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771247
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone (CID 60733638) is (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2cc(Cl)ccc2F)CCO1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is VPTDDISDVNFSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-2-10-8-16(5-6-18-10)13(17)11-7-9(14)3-4-12(11)15/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 271.72 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 60733638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).