N-cyano-3-(3-fluorophenyl)prop-2-enamide

C10H7FN2O — CID 79193644

IUPACN-cyano-3-(3-fluorophenyl)prop-2-enamide
SMILESN#CNC(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C10H7FN2O/c11-9-3-1-2-8(6-9)4-5-10(14)13-7-12/h1-6H,(H,13,14)
InChIKeyLHNPVTKATLQQTP-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.44
Rot. Bonds2

About N-cyano-3-(3-fluorophenyl)prop-2-enamide

N-cyano-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 79193644) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is N-cyano-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-cyano-3-(3-fluorophenyl)prop-2-enamide
PubChem CID79193644
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC NameN-cyano-3-(3-fluorophenyl)prop-2-enamide
SMILESN#CNC(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C10H7FN2O/c11-9-3-1-2-8(6-9)4-5-10(14)13-7-12/h1-6H,(H,13,14)
InChIKeyLHNPVTKATLQQTP-UHFFFAOYSA-N
XLogP1.44
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-N-cyanoprop-2-enamide
CID 79195183
2-cyano-N-[3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108922820
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide
CID 78911945
(E)-N,N-bis(2-cyanoethyl)-3-(3-fluorophenyl)prop-2-enamide
CID 47148587
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(3-fluorophenyl)prop-2-enamide
CID 104857440
3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]benzonitrile
CID 52643763
N-[3-(3-cyanopropoxy)-2-pyridinyl]-3-(3-fluorophenyl)prop-2-enamide
CID 72684835
3-(2-chloro-6-fluorophenyl)-N-cyanoprop-2-enamide
CID 79193896
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129

Frequently Asked Questions

What is the IUPAC name of N-cyano-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of N-cyano-3-(3-fluorophenyl)prop-2-enamide (CID 79193644) is N-cyano-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-cyano-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-cyano-3-(3-fluorophenyl)prop-2-enamide is N#CNC(=O)C=Cc1cccc(F)c1.
What is the InChIKey of N-cyano-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is LHNPVTKATLQQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-9-3-1-2-8(6-9)4-5-10(14)13-7-12/h1-6H,(H,13,14).
What are the key properties of N-cyano-3-(3-fluorophenyl)prop-2-enamide?
N-cyano-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 190.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 79193644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).