(E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide

C21H24FNO — CID 18285220

IUPAC(E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCCc1ccc(C(NC(=O)/C=C/c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C21H24FNO/c1-4-16-5-10-18(11-6-16)21(15(2)3)23-20(24)14-9-17-7-12-19(22)13-8-17/h5-15,21H,4H2,1-3H3,(H,23,24)/b14-9+
InChIKeyBFFHJQBBHOCXQO-NTEUORMPSA-N
MW325.43 g/mol
LogP4.91
Rot. Bonds6

About (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 18285220) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID18285220
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name(E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCCc1ccc(C(NC(=O)/C=C/c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C21H24FNO/c1-4-16-5-10-18(11-6-16)21(15(2)3)23-20(24)14-9-17-7-12-19(22)13-8-17/h5-15,21H,4H2,1-3H3,(H,23,24)/b14-9+
InChIKeyBFFHJQBBHOCXQO-NTEUORMPSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.91
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

3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
N-[1-(4-fluorophenyl)-2-methylpropyl]but-2-enamide
CID 78911777
(E)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9193506
(E)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 7694591
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide
CID 24586730
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
(2S,3R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104964479
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 17327962

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide (CID 18285220) is (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide is CCc1ccc(C(NC(=O)/C=C/c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is BFFHJQBBHOCXQO-NTEUORMPSA-N. The full InChI is InChI=1S/C21H24FNO/c1-4-16-5-10-18(11-6-16)21(15(2)3)23-20(24)14-9-17-7-12-19(22)13-8-17/h5-15,21H,4H2,1-3H3,(H,23,24)/b14-9+.
What are the key properties of (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 325.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 18285220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).