N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide

C19H16F4N2O — CID 56539040

IUPACN-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide
SMILESC#CCN(Cc1ccc(F)cc1)C(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F4N2O/c1-2-10-25(13-14-6-8-16(20)9-7-14)18(26)12-24-17-5-3-4-15(11-17)19(21,22)23/h1,3-9,11,24H,10,12-13H2
InChIKeyYUQLXMHTHWXKBD-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.92
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide

N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56539040) has the molecular formula C19H16F4N2O and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56539040
Molecular FormulaC19H16F4N2O
Molecular Weight364.34 g/mol
Exact Mass364.12
IUPAC NameN-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide
SMILESC#CCN(Cc1ccc(F)cc1)C(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F4N2O/c1-2-10-25(13-14-6-8-16(20)9-7-14)18(26)12-24-17-5-3-4-15(11-17)19(21,22)23/h1,3-9,11,24H,10,12-13H2
InChIKeyYUQLXMHTHWXKBD-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.92
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

N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide
CID 52763877
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
3-[[2-(diethylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841572
tert-butyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]-4-oxobutyl]carbamate
CID 52782573
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546555
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4149991
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552881
N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide
CID 111332009
N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide
CID 52780863
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide (CID 56539040) is N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide is C#CCN(Cc1ccc(F)cc1)C(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is YUQLXMHTHWXKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O/c1-2-10-25(13-14-6-8-16(20)9-7-14)18(26)12-24-17-5-3-4-15(11-17)19(21,22)23/h1,3-9,11,24H,10,12-13H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 364.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56539040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).