(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide

C14H17FN2O — CID 55100390

IUPAC(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCNC1CC1
InChIInChI=1S/C14H17FN2O/c15-12-4-1-11(2-5-12)3-8-14(18)17-10-9-16-13-6-7-13/h1-5,8,13,16H,6-7,9-10H2,(H,17,18)/b8-3+
InChIKeyDKEORFQNNZDTKH-FPYGCLRLSA-N
MW248.30 g/mol
LogP1.71
Rot. Bonds6

About (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 55100390) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID55100390
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCNC1CC1
InChIInChI=1S/C14H17FN2O/c15-12-4-1-11(2-5-12)3-8-14(18)17-10-9-16-13-6-7-13/h1-5,8,13,16H,6-7,9-10H2,(H,17,18)/b8-3+
InChIKeyDKEORFQNNZDTKH-FPYGCLRLSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
CID 76948159
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
(E)-N-(2-cyclohexylsulfanylethyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2176425
(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104972055
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 76922751
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide
CID 111461498
(E)-3-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30885116
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide (CID 55100390) is (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCCNC1CC1.
What is the InChIKey of (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is DKEORFQNNZDTKH-FPYGCLRLSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-4-1-11(2-5-12)3-8-14(18)17-10-9-16-13-6-7-13/h1-5,8,13,16H,6-7,9-10H2,(H,17,18)/b8-3+.
What are the key properties of (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 248.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 55100390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).