N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide

C13H15F3N2O2 — CID 28577768

IUPACN-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccccc1OC(F)(F)F)NCC1CC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-4-2-1-3-10(11)17-8-12(19)18-7-9-5-6-9/h1-4,9,17H,5-8H2,(H,18,19)
InChIKeyRMVPBBULKQAJOX-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.52
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide

N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide (PubChem CID 28577768) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
PubChem CID28577768
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccccc1OC(F)(F)F)NCC1CC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-4-2-1-3-10(11)17-8-12(19)18-7-9-5-6-9/h1-4,9,17H,5-8H2,(H,18,19)
InChIKeyRMVPBBULKQAJOX-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

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Related Compounds

N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644517
N-(cyclopropylmethyl)-2-(2-phenylanilino)acetamide
CID 28569421
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
CID 30644453
(Z)-3-methyl-4-[2-(trifluoromethoxy)anilino]but-2-enoic acid
CID 103233513
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
2-piperidin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 62689510

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide (CID 28577768) is N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide is O=C(CNc1ccccc1OC(F)(F)F)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide?
The InChIKey is RMVPBBULKQAJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-4-2-1-3-10(11)17-8-12(19)18-7-9-5-6-9/h1-4,9,17H,5-8H2,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide?
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]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 N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 28577768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).