2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide

C10H6ClFN2O — CID 130856187

IUPAC2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H6ClFN2O/c1-6(11)10(15)14-8-2-3-9(12)7(4-8)5-13/h2-4H,1H2,(H,14,15)
InChIKeyBDEUMKPMLZUXQX-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.39
Rot. Bonds2

About 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide

2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide (PubChem CID 130856187) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
PubChem CID130856187
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H6ClFN2O/c1-6(11)10(15)14-8-2-3-9(12)7(4-8)5-13/h2-4H,1H2,(H,14,15)
InChIKeyBDEUMKPMLZUXQX-UHFFFAOYSA-N
XLogP2.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.39
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

2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
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2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
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N-(3-cyano-4-fluorophenyl)but-2-enamide
CID 78925603
2-bromo-N-(3-cyano-4-fluorophenyl)butanamide
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CID 62316486
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760902
2-(3-cyano-4-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168610628
3-(3-cyano-4-fluorophenyl)-1-ethyl-1-methylurea
CID 78925778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide (CID 130856187) is 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide is C=C(Cl)C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide?
The InChIKey is BDEUMKPMLZUXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c1-6(11)10(15)14-8-2-3-9(12)7(4-8)5-13/h2-4H,1H2,(H,14,15).
What are the key properties of 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide?
2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide has a molecular weight of 224.62 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 130856187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).