2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone

C14H18ClFN2O2 — CID 167966859

IUPAC2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
SMILESCC(NCC(=O)N1CCOCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O2/c1-10(12-3-2-11(15)8-13(12)16)17-9-14(19)18-4-6-20-7-5-18/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeySLWVMUDOSWBLAY-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.99
Rot. Bonds4

About 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone

2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone (PubChem CID 167966859) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
PubChem CID167966859
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
SMILESCC(NCC(=O)N1CCOCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O2/c1-10(12-3-2-11(15)8-13(12)16)17-9-14(19)18-4-6-20-7-5-18/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeySLWVMUDOSWBLAY-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 112796891
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 51928393
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone
CID 97349149
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone (CID 167966859) is 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone is CC(NCC(=O)N1CCOCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone?
The InChIKey is SLWVMUDOSWBLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-10(12-3-2-11(15)8-13(12)16)17-9-14(19)18-4-6-20-7-5-18/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone?
2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone has a molecular weight of 300.76 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 167966859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).