N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide

C19H19FN2O2 — CID 110309432

IUPACN-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide
SMILESC/C(=C\c1ccccc1F)C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-14(13-16-9-5-6-10-17(16)20)18(23)21-11-12-22-19(24)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,21,23)(H,22,24)/b14-13+
InChIKeyIONJKZLJTSUKOM-BUHFOSPRSA-N
MW326.37 g/mol
LogP2.78
Rot. Bonds6

About N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide

N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide (PubChem CID 110309432) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide
PubChem CID110309432
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide
SMILESC/C(=C\c1ccccc1F)C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-14(13-16-9-5-6-10-17(16)20)18(23)21-11-12-22-19(24)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,21,23)(H,22,24)/b14-13+
InChIKeyIONJKZLJTSUKOM-BUHFOSPRSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide
CID 110298647
N-[1-(2-fluorophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2860308
N-[(Z)-1-(2-fluorophenyl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 7033587
(E)-3-(2-fluorophenyl)-2-methyl-N-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]prop-2-enamide
CID 90264803
(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide
CID 110298638
N-[1-(2-fluorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 3104296
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110298659
(E)-3-(2-fluorophenyl)-2-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 110305238
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[(E)-3-(benzylamino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5440572
2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037
N-(2-aminoethyl)benzamide;ethane
CID 143976252

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide (CID 110309432) is N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide is C/C(=C\c1ccccc1F)C(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is IONJKZLJTSUKOM-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-14(13-16-9-5-6-10-17(16)20)18(23)21-11-12-22-19(24)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,21,23)(H,22,24)/b14-13+.
What are the key properties of N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide?
N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 326.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 110309432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).