2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide

C13H15F3N2O2 — CID 60842957

IUPAC2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-5-3-10(4-6-11)18-12(19)8-17-7-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19)
InChIKeyMBGXTAYGMJTPHD-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.52
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 60842957) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID60842957
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-5-3-10(4-6-11)18-12(19)8-17-7-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19)
InChIKeyMBGXTAYGMJTPHD-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119672849
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2098901
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 60842957) is 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CNCC1CC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is MBGXTAYGMJTPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-5-3-10(4-6-11)18-12(19)8-17-7-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 60842957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).