N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

C16H19F3N2O — CID 154868569

IUPACN-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C16H19F3N2O/c1-2-15(22)20-11-14(21-9-3-4-10-21)12-5-7-13(8-6-12)16(17,18)19/h2,5-8,14H,1,3-4,9-11H2,(H,20,22)
InChIKeyPNDYYMUHWNGEKU-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.14
Rot. Bonds5

About N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide (PubChem CID 154868569) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
PubChem CID154868569
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC NameN-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C16H19F3N2O/c1-2-15(22)20-11-14(21-9-3-4-10-21)12-5-7-13(8-6-12)16(17,18)19/h2,5-8,14H,1,3-4,9-11H2,(H,20,22)
InChIKeyPNDYYMUHWNGEKU-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.14
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-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide
CID 59125012
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 16792257
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4841220
2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119872524
4-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]butanamide;dihydrochloride
CID 119872533
(2R)-2-methylsulfanyl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511635
(2R)-2-methylsulfanyl-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511637
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403

Frequently Asked Questions

What is the IUPAC name of N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide (CID 154868569) is N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is C=CC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The InChIKey is PNDYYMUHWNGEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-2-15(22)20-11-14(21-9-3-4-10-21)12-5-7-13(8-6-12)16(17,18)19/h2,5-8,14H,1,3-4,9-11H2,(H,20,22).
What are the key properties of N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide has a molecular weight of 312.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 154868569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).