2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide

C13H16F3N3O2 — CID 82996693

IUPAC2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide
SMILESO=C(Nc1cccc(CNN2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)12(20)18-11-3-1-2-10(8-11)9-17-19-4-6-21-7-5-19/h1-3,8,17H,4-7,9H2,(H,18,20)
InChIKeySPGAWOYEZCGAJK-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.52
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide

2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide (PubChem CID 82996693) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide
PubChem CID82996693
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide
SMILESO=C(Nc1cccc(CNN2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)12(20)18-11-3-1-2-10(8-11)9-17-19-4-6-21-7-5-19/h1-3,8,17H,4-7,9H2,(H,18,20)
InChIKeySPGAWOYEZCGAJK-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048
N-[3-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 65312736
N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 114262654
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621
2,2,2-trifluoro-N-[3-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 114615567
2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide
CID 87238776
2,2,2-trifluoro-N-[3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 114010222
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311
2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide
CID 106187310

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide (CID 82996693) is 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide is O=C(Nc1cccc(CNN2CCOCC2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide?
The InChIKey is SPGAWOYEZCGAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)12(20)18-11-3-1-2-10(8-11)9-17-19-4-6-21-7-5-19/h1-3,8,17H,4-7,9H2,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide has a molecular weight of 303.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 82996693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).