2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide

C19H17F3N2O — CID 32735659

IUPAC2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H17F3N2O/c1-24(17-10-3-2-4-11-17)14-18(25)23-12-6-8-15-7-5-9-16(13-15)19(20,21)22/h2-5,7,9-11,13H,12,14H2,1H3,(H,23,25)
InChIKeyUFGMPDPRCPFCLL-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.31
Rot. Bonds4

About 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide

2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (PubChem CID 32735659) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
PubChem CID32735659
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H17F3N2O/c1-24(17-10-3-2-4-11-17)14-18(25)23-12-6-8-15-7-5-9-16(13-15)19(20,21)22/h2-5,7,9-11,13H,12,14H2,1H3,(H,23,25)
InChIKeyUFGMPDPRCPFCLL-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941
1-benzyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553760
2-(3-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550585
2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550577
2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31825072
3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
CID 24630505
1-(2-methylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553780
1-(2-fluorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553779
1-[[2-(N-methylanilino)acetyl]amino]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86859978
3-(4-cyanophenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
CID 31872414
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 97223598
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
CID 31871907

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The IUPAC name of 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (CID 32735659) is 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.
What is the SMILES notation for 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The canonical SMILES for 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The InChIKey is UFGMPDPRCPFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-24(17-10-3-2-4-11-17)14-18(25)23-12-6-8-15-7-5-9-16(13-15)19(20,21)22/h2-5,7,9-11,13H,12,14H2,1H3,(H,23,25).
What are the key properties of 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is sourced from PubChem (CID 32735659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).