1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one

C14H17F3N2O2 — CID 43084708

IUPAC1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
SMILESCC(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H17F3N2O2/c1-10(13(20)19-6-8-21-9-7-19)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10,18H,6-9H2,1H3
InChIKeyNHCLLCFSDBJACR-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.36
Rot. Bonds3

About 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one

1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one (PubChem CID 43084708) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
PubChem CID43084708
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
SMILESCC(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H17F3N2O2/c1-10(13(20)19-6-8-21-9-7-19)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10,18H,6-9H2,1H3
InChIKeyNHCLLCFSDBJACR-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 75520261
1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethyl)anilino]propan-1-one
CID 78777112
2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile
CID 60661902
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 103579849
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one (CID 43084708) is 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one is CC(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one?
The InChIKey is NHCLLCFSDBJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10(13(20)19-6-8-21-9-7-19)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10,18H,6-9H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one?
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one has a molecular weight of 302.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one is sourced from PubChem (CID 43084708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).