N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide

C13H15F3N2O — CID 28571844

IUPACN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NCC1CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-2-1-3-11(6-10)17-8-12(19)18-7-9-4-5-9/h1-3,6,9,17H,4-5,7-8H2,(H,18,19)
InChIKeyVOZQXHWBICXOLO-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.64
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 28571844) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID28571844
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NCC1CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-2-1-3-11(6-10)17-8-12(19)18-7-9-4-5-9/h1-3,6,9,17H,4-5,7-8H2,(H,18,19)
InChIKeyVOZQXHWBICXOLO-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540445
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
N-(2-methyl-2-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546273
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540336

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 28571844) is N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is VOZQXHWBICXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)10-2-1-3-11(6-10)17-8-12(19)18-7-9-4-5-9/h1-3,6,9,17H,4-5,7-8H2,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 272.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 28571844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).