(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide

C11H12BrNO — CID 688145

💊View drug profile → cinromide
IUPAC(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/c1cccc(Br)c1
InChIInChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+
InChIKeyLDCXGZCEMNMWIL-VOTSOKGWSA-N
MW254.13 g/mol
LogP2.60
Rot. Bonds3

About (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide

(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide (PubChem CID 688145) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
PubChem CID688145
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/c1cccc(Br)c1
InChIInChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+
InChIKeyLDCXGZCEMNMWIL-VOTSOKGWSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.60
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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Related Compounds

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(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide
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CID 10589086

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide (CID 688145) is (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide is CCNC(=O)/C=C/c1cccc(Br)c1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide?
The InChIKey is LDCXGZCEMNMWIL-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+.
What are the key properties of (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide?
(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide has a molecular weight of 254.13 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 688145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).