2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide

C13H15F3N2O2 — CID 107104719

IUPAC2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESNC(=O)C(NCC1CC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-3-1-2-9(6-10)11(12(17)19)18-7-8-4-5-8/h1-3,6,8,11,18H,4-5,7H2,(H2,17,19)
InChIKeyDNAIHYCICQBZPG-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.11
Rot. Bonds6

About 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide

2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 107104719) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID107104719
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESNC(=O)C(NCC1CC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-3-1-2-9(6-10)11(12(17)19)18-7-8-4-5-8/h1-3,6,8,11,18H,4-5,7H2,(H2,17,19)
InChIKeyDNAIHYCICQBZPG-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethylamino)-2-[3-(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-(cyclopropylmethylamino)-2-naphthalen-2-ylacetamide
CID 60995245
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60995391
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 107105283
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate
CID 115527084
(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
CID 97315932
[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
CID 175211548
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 107104719) is 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide is NC(=O)C(NCC1CC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is DNAIHYCICQBZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-3-1-2-9(6-10)11(12(17)19)18-7-8-4-5-8/h1-3,6,8,11,18H,4-5,7H2,(H2,17,19).
What are the key properties of 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide?
2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 107104719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).