N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide

C20H20BrNO — CID 101487414

IUPACN-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1ccccc1)C(C=C)c1ccccc1Br
InChIInChI=1S/C20H20BrNO/c1-3-14-22(20(23)15-16-10-6-5-7-11-16)19(4-2)17-12-8-9-13-18(17)21/h3-13,19H,1-2,14-15H2
InChIKeyJYBMGTNHOIUXHE-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.93
Rot. Bonds7

About N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide

N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide (PubChem CID 101487414) has the molecular formula C20H20BrNO and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide
PubChem CID101487414
Molecular FormulaC20H20BrNO
Molecular Weight370.29 g/mol
Exact Mass369.07
IUPAC NameN-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1ccccc1)C(C=C)c1ccccc1Br
InChIInChI=1S/C20H20BrNO/c1-3-14-22(20(23)15-16-10-6-5-7-11-16)19(4-2)17-12-8-9-13-18(17)21/h3-13,19H,1-2,14-15H2
InChIKeyJYBMGTNHOIUXHE-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane
CID 142909540
N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 175002817
N-benzyl-N-[1-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enyl]-2-methylprop-2-enamide
CID 102225181
N-benzyl-2-(3-bromo-4-fluorophenyl)-N-prop-2-enylacetamide
CID 55873125
2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide
CID 102276029
2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide
CID 70518540
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
2-[bis(prop-2-enyl)amino]-2-(2-bromophenyl)acetonitrile
CID 84757361
N-benzyl-N-hydroxy-2-phenylacetamide
CID 10933642
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide?
The IUPAC name of N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide (CID 101487414) is N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1ccccc1)C(C=C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide?
The InChIKey is JYBMGTNHOIUXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO/c1-3-14-22(20(23)15-16-10-6-5-7-11-16)19(4-2)17-12-8-9-13-18(17)21/h3-13,19H,1-2,14-15H2.
What are the key properties of N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide?
N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide has a molecular weight of 370.29 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 101487414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).