2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C14H19F3N2O — CID 60683177

IUPAC2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)NCC(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-9(2)18-8-13(20)19-10(3)11-5-4-6-12(7-11)14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20)
InChIKeyNONMXCSENTYYPP-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.88
Rot. Bonds5

About 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 60683177) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID60683177
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)NCC(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-9(2)18-8-13(20)19-10(3)11-5-4-6-12(7-11)14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20)
InChIKeyNONMXCSENTYYPP-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093
2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 24609966

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 60683177) is 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(C)NCC(=O)NC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is NONMXCSENTYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)18-8-13(20)19-10(3)11-5-4-6-12(7-11)14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 60683177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).