(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C18H18FNO — CID 785785

IUPAC(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C18H18FNO/c1-13(2)15-9-6-14(7-10-15)8-11-18(21)20-17-5-3-4-16(19)12-17/h3-13H,1-2H3,(H,20,21)/b11-8+
InChIKeyREONAPGLBGGZHR-DHZHZOJOSA-N
MW283.35 g/mol
LogP4.60
Rot. Bonds4

About (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 785785) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID785785
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C18H18FNO/c1-13(2)15-9-6-14(7-10-15)8-11-18(21)20-17-5-3-4-16(19)12-17/h3-13H,1-2H3,(H,20,21)/b11-8+
InChIKeyREONAPGLBGGZHR-DHZHZOJOSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.60
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-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6161453
N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide
CID 6119425
(E)-3-(3,4-dihydroxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 46907512
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
(E)-N-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 29110301
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 785785) is (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is REONAPGLBGGZHR-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13(2)15-9-6-14(7-10-15)8-11-18(21)20-17-5-3-4-16(19)12-17/h3-13H,1-2H3,(H,20,21)/b11-8+.
What are the key properties of (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 283.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 785785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).