2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone

C14H18ClFN2O3 — CID 97349149

IUPAC2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone
SMILESO=C(CN[C@@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1
InChIInChI=1S/C14H18ClFN2O3/c15-11-2-1-10(7-12(11)16)13(9-19)17-8-14(20)18-3-5-21-6-4-18/h1-2,7,13,17,19H,3-6,8-9H2/t13-/m0/s1
InChIKeyMNNXANWTBOMWDQ-ZDUSSCGKSA-N
MW316.76 g/mol
LogP0.96
Rot. Bonds5

About 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone

2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone (PubChem CID 97349149) has the molecular formula C14H18ClFN2O3 and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone
PubChem CID97349149
Molecular FormulaC14H18ClFN2O3
Molecular Weight316.76 g/mol
Exact Mass316.10
IUPAC Name2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone
SMILESO=C(CN[C@@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1
InChIInChI=1S/C14H18ClFN2O3/c15-11-2-1-10(7-12(11)16)13(9-19)17-8-14(20)18-3-5-21-6-4-18/h1-2,7,13,17,19H,3-6,8-9H2/t13-/m0/s1
InChIKeyMNNXANWTBOMWDQ-ZDUSSCGKSA-N
XLogP0.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]ethanone
CID 97349144
[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
CID 167966859
3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528321
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
CID 104530689
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
CID 107644421
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone (CID 97349149) is 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone is O=C(CN[C@@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1.
What is the InChIKey of 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone?
The InChIKey is MNNXANWTBOMWDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClFN2O3/c15-11-2-1-10(7-12(11)16)13(9-19)17-8-14(20)18-3-5-21-6-4-18/h1-2,7,13,17,19H,3-6,8-9H2/t13-/m0/s1.
What are the key properties of 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone?
2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone has a molecular weight of 316.76 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97349149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).