(E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide

C18H18FNO — CID 8643288

IUPAC(E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C18H18FNO/c1-14-5-4-6-15(13-14)9-10-18(21)20-12-11-16-7-2-3-8-17(16)19/h2-10,13H,11-12H2,1H3,(H,20,21)/b10-9+
InChIKeyPFYPTZJCHOORGD-MDZDMXLPSA-N
MW283.35 g/mol
LogP3.51
Rot. Bonds5

About (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide

(E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 8643288) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID8643288
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C18H18FNO/c1-14-5-4-6-15(13-14)9-10-18(21)20-12-11-16-7-2-3-8-17(16)19/h2-10,13H,11-12H2,1H3,(H,20,21)/b10-9+
InChIKeyPFYPTZJCHOORGD-MDZDMXLPSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.51
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)-3-(3-fluorophenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
CID 8743644
methyl 3-[[(Z)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoate
CID 96561918
(E)-3-(3-methylphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 108934921
(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7924760
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
6-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]hexanoic acid
CID 43238449
N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide
CID 102603478
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)prop-2-enamide
CID 76868918
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
(E)-3-(3-methylphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]prop-2-enamide
CID 46585241
(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide
CID 115343949
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide (CID 8643288) is (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C/C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is PFYPTZJCHOORGD-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18FNO/c1-14-5-4-6-15(13-14)9-10-18(21)20-12-11-16-7-2-3-8-17(16)19/h2-10,13H,11-12H2,1H3,(H,20,21)/b10-9+.
What are the key properties of (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
(E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 283.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 8643288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).