N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide

C16H19F3N2O — CID 29454713

IUPACN-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1)NC(C1CC1)C1CC1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)12-5-7-13(8-6-12)20-9-14(22)21-15(10-1-2-10)11-3-4-11/h5-8,10-11,15,20H,1-4,9H2,(H,21,22)
InChIKeyGDDDSYJLHJUPAK-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.42
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide

N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide (PubChem CID 29454713) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
PubChem CID29454713
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1)NC(C1CC1)C1CC1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)12-5-7-13(8-6-12)20-9-14(22)21-15(10-1-2-10)11-3-4-11/h5-8,10-11,15,20H,1-4,9H2,(H,21,22)
InChIKeyGDDDSYJLHJUPAK-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 26507967
ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
CID 29470932
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 9083088
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide
CID 29465196
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
CID 37230634
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185
2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide
CID 29458027
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide (CID 29454713) is N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide is O=C(CNc1ccc(C(F)(F)F)cc1)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The InChIKey is GDDDSYJLHJUPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)12-5-7-13(8-6-12)20-9-14(22)21-15(10-1-2-10)11-3-4-11/h5-8,10-11,15,20H,1-4,9H2,(H,21,22).
What are the key properties of N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide?
N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide has a molecular weight of 312.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 29454713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).