3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide

C19H19FN2O2 — CID 71862224

IUPAC3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide
SMILESCC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C19H19FN2O2/c1-13(10-14-6-8-17(20)9-7-14)19(24)22(2)12-15-4-3-5-16(11-15)18(21)23/h3-11H,12H2,1-2H3,(H2,21,23)
InChIKeyOGAVIIKVBNAKII-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.99
Rot. Bonds5

About 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide

3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide (PubChem CID 71862224) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide
PubChem CID71862224
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide
SMILESCC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C19H19FN2O2/c1-13(10-14-6-8-17(20)9-7-14)19(24)22(2)12-15-4-3-5-16(11-15)18(21)23/h3-11H,12H2,1-2H3,(H2,21,23)
InChIKeyOGAVIIKVBNAKII-UHFFFAOYSA-N
XLogP2.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)prop-2-enamide
CID 75376768
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3-[[[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamoyl-methylamino]methyl]benzamide
CID 94578867
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)prop-2-enoate
CID 76861544
3-[[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide
CID 97022015
3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide
CID 97022014
N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55920916
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
CID 95614937
3-[(dipropylamino)methyl]benzamide
CID 82041313

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide?
The IUPAC name of 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide (CID 71862224) is 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide is CC(=Cc1ccc(F)cc1)C(=O)N(C)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide?
The InChIKey is OGAVIIKVBNAKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(10-14-6-8-17(20)9-7-14)19(24)22(2)12-15-4-3-5-16(11-15)18(21)23/h3-11H,12H2,1-2H3,(H2,21,23).
What are the key properties of 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide?
3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide has a molecular weight of 326.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 71862224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).