(E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide

C19H20BrNO — CID 6021102

IUPAC(E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
SMILESCCc1ccc(C(C)NC(=O)/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H20BrNO/c1-3-15-4-9-17(10-5-15)14(2)21-19(22)13-8-16-6-11-18(20)12-7-16/h4-14H,3H2,1-2H3,(H,21,22)/b13-8+
InChIKeyDJTSPBYCEAOPJV-MDWZMJQESA-N
MW358.28 g/mol
LogP4.90
Rot. Bonds5

About (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide

(E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide (PubChem CID 6021102) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
PubChem CID6021102
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name(E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
SMILESCCc1ccc(C(C)NC(=O)/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H20BrNO/c1-3-15-4-9-17(10-5-15)14(2)21-19(22)13-8-16-6-11-18(20)12-7-16/h4-14H,3H2,1-2H3,(H,21,22)/b13-8+
InChIKeyDJTSPBYCEAOPJV-MDWZMJQESA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide (CID 6021102) is (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide is CCc1ccc(C(C)NC(=O)/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide?
The InChIKey is DJTSPBYCEAOPJV-MDWZMJQESA-N. The full InChI is InChI=1S/C19H20BrNO/c1-3-15-4-9-17(10-5-15)14(2)21-19(22)13-8-16-6-11-18(20)12-7-16/h4-14H,3H2,1-2H3,(H,21,22)/b13-8+.
What are the key properties of (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide?
(E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide has a molecular weight of 358.28 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 6021102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).