N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide

C15H15F3N2O2 — CID 167874796

IUPACN-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C15H15F3N2O2/c1-2-13(21)19-11-5-3-4-10(8-11)14(22)20(12-6-7-12)9-15(16,17)18/h2-5,8,12H,1,6-7,9H2,(H,19,21)
InChIKeyVZOXPYHEFPTYBY-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.98
Rot. Bonds5

About N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide

N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 167874796) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID167874796
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC NameN-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C15H15F3N2O2/c1-2-13(21)19-11-5-3-4-10(8-11)14(22)20(12-6-7-12)9-15(16,17)18/h2-5,8,12H,1,6-7,9H2,(H,19,21)
InChIKeyVZOXPYHEFPTYBY-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
3,3,3-trifluoro-N-[(3S)-1-[3-(prop-2-enoylamino)benzoyl]piperidin-3-yl]propanamide
CID 166410618
N-ethyl-N-(oxan-4-ylmethyl)-3-(prop-2-enoylamino)benzamide
CID 166410817
3-(prop-2-enoylamino)-N-[(1R,2R,3R,4S)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 166416067
N-[1-(2,6-difluorophenyl)ethyl]-N-methyl-3-(prop-2-enoylamino)benzamide
CID 166412002
N-[[(1R,6R)-7,7-difluoro-2-oxabicyclo[4.1.0]heptan-1-yl]methyl]-3-(prop-2-enoylamino)benzamide
CID 166407372
3-[[2-[2-(prop-2-enoylamino)phenyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 166420789
N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-3-(prop-2-enoylamino)benzamide
CID 166412242
3-nitro-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 66545519
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 167874796) is N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide is C=CC(=O)Nc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VZOXPYHEFPTYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-2-13(21)19-11-5-3-4-10(8-11)14(22)20(12-6-7-12)9-15(16,17)18/h2-5,8,12H,1,6-7,9H2,(H,19,21).
What are the key properties of N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 312.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 167874796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).