(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide

C18H18BrNO2 — CID 60565625

IUPAC(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
SMILESCCOc1ccccc1CNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C18H18BrNO2/c1-2-22-17-10-6-4-8-15(17)13-20-18(21)12-11-14-7-3-5-9-16(14)19/h3-12H,2,13H2,1H3,(H,20,21)/b12-11+
InChIKeyBDNVQCICAASFAF-VAWYXSNFSA-N
MW360.25 g/mol
LogP4.18
Rot. Bonds6

About (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide

(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide (PubChem CID 60565625) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
PubChem CID60565625
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
SMILESCCOc1ccccc1CNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C18H18BrNO2/c1-2-22-17-10-6-4-8-15(17)13-20-18(21)12-11-14-7-3-5-9-16(14)19/h3-12H,2,13H2,1H3,(H,20,21)/b12-11+
InChIKeyBDNVQCICAASFAF-VAWYXSNFSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.18
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)-N-[(2-ethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 28570264
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 9340094
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
CID 60566015
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555515
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
(E)-3-(2-ethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052725
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
CID 40730718
(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9103990

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide (CID 60565625) is (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide is CCOc1ccccc1CNC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide?
The InChIKey is BDNVQCICAASFAF-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-2-22-17-10-6-4-8-15(17)13-20-18(21)12-11-14-7-3-5-9-16(14)19/h3-12H,2,13H2,1H3,(H,20,21)/b12-11+.
What are the key properties of (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide?
(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide has a molecular weight of 360.25 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 60565625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).