(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide

C14H12FNO2 — CID 2683689

IUPAC(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1ccc(F)cc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H12FNO2/c1-10-4-5-11(15)9-13(10)16-14(17)7-6-12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/b7-6+
InChIKeyZELNAQPDMQVCIU-VOTSOKGWSA-N
MW245.25 g/mol
LogP3.38
Rot. Bonds3

About (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 2683689) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID2683689
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1ccc(F)cc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H12FNO2/c1-10-4-5-11(15)9-13(10)16-14(17)7-6-12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/b7-6+
InChIKeyZELNAQPDMQVCIU-VOTSOKGWSA-N
XLogP3.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.38
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

(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 103274604
(E)-N-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2683620
N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide
CID 75896601
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
3-fluoro-4-[3-(furan-2-yl)prop-2-enoylamino]benzoic acid
CID 76988155
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880816
(E)-N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880817
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 9097738
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2673717

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide (CID 2683689) is (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide is Cc1ccc(F)cc1NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ZELNAQPDMQVCIU-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-10-4-5-11(15)9-13(10)16-14(17)7-6-12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/b7-6+.
What are the key properties of (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 245.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2683689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).