(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide

C17H16FNO — CID 8863833

IUPAC(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(F)cc2C)cc1
InChIInChI=1S/C17H16FNO/c1-12-3-5-14(6-4-12)7-10-17(20)19-16-9-8-15(18)11-13(16)2/h3-11H,1-2H3,(H,19,20)/b10-7+
InChIKeyCLGUWMYJLDXPAI-JXMROGBWSA-N
MW269.32 g/mol
LogP4.09
Rot. Bonds3

About (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 8863833) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID8863833
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(F)cc2C)cc1
InChIInChI=1S/C17H16FNO/c1-12-3-5-14(6-4-12)7-10-17(20)19-16-9-8-15(18)11-13(16)2/h3-11H,1-2H3,(H,19,20)/b10-7+
InChIKeyCLGUWMYJLDXPAI-JXMROGBWSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
methyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzoate
CID 36928861
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
CID 24608443
3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 78905878
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
(E)-3-(4-fluorophenyl)-N-[4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6108914
N-[2-methoxy-4-[3-methoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 4200270
(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 17341892

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide (CID 8863833) is (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(F)cc2C)cc1.
What is the InChIKey of (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is CLGUWMYJLDXPAI-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-3-5-14(6-4-12)7-10-17(20)19-16-9-8-15(18)11-13(16)2/h3-11H,1-2H3,(H,19,20)/b10-7+.
What are the key properties of (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 269.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 8863833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).