N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C14H11ClFNO2 — CID 896719

IUPACN-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C14H11ClFNO2/c1-9-2-4-11(19-9)5-7-14(18)17-10-3-6-13(16)12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyHLMJQEGLTINUOF-UHFFFAOYSA-N
MW279.70 g/mol
LogP4.03
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 896719) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID896719
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C14H11ClFNO2/c1-9-2-4-11(19-9)5-7-14(18)17-10-3-6-13(16)12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyHLMJQEGLTINUOF-UHFFFAOYSA-N
XLogP4.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 54.03
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-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923476
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
2-fluoro-4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791438
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 896719) is N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2ccc(F)c(Cl)c2)o1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is HLMJQEGLTINUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-9-2-4-11(19-9)5-7-14(18)17-10-3-6-13(16)12(15)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 279.70 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 896719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).