(E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide

C10H10BrNO2 — CID 11010571

IUPAC(E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide
SMILESCONC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c1-14-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeySPPCSPRNUUMQCI-QPJJXVBHSA-N
MW256.10 g/mol
LogP2.14
Rot. Bonds3

About (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide

(E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide (PubChem CID 11010571) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide
PubChem CID11010571
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide
SMILESCONC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c1-14-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeySPPCSPRNUUMQCI-QPJJXVBHSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Bromophenyl)prop-2-enamide
CID 14914484
(2E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide
CID 11715696
(2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide
CID 11672892
(E)-N-Methoxycinnamamide
CID 13864820
p-Bromocinnamic acid hydrazide
CID 6367007
3-Bromocinnamamide
CID 6442568
(2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide
CID 6258369
3-(3-Bromophenyl)prop-2-enamide
CID 181217
(E)-3-(4-Bromophenyl)-N,N-dimethylacrylamide
CID 6312765
(e)-3-(4-bromophenyl)-N-methoxy-N-methylacrylamide
CID 11747632
(E)-3-(2-bromophenyl)prop-2-enamide
CID 16059638
4-bromo-N-methoxybenzamide
CID 23268652

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide (CID 11010571) is (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide is CONC(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide?
The InChIKey is SPPCSPRNUUMQCI-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-14-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+.
What are the key properties of (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide?
(E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide has a molecular weight of 256.10 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide is sourced from PubChem (CID 11010571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).