3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide

C16H14BrNO2 — CID 4989613

IUPAC3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCOc1ccc(Br)cc1C=CC(=O)Nc1ccccc1
InChIInChI=1S/C16H14BrNO2/c1-20-15-9-8-13(17)11-12(15)7-10-16(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyKRQXDQYKDADSGO-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.11
Rot. Bonds4

About 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide

3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide (PubChem CID 4989613) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
PubChem CID4989613
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCOc1ccc(Br)cc1C=CC(=O)Nc1ccccc1
InChIInChI=1S/C16H14BrNO2/c1-20-15-9-8-13(17)11-12(15)7-10-16(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyKRQXDQYKDADSGO-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.11
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)-3-(5-bromo-2-methoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 17111218
(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 41177590
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 1116370
(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8713738
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]prop-2-enamide
CID 23097516
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 1371675
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-chlorophenoxy)phenyl]prop-2-enamide
CID 17111288
S-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576947
[3-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]phenyl] propanoate
CID 17341954
3-(5-bromo-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 74713789
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide (CID 4989613) is 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide is COc1ccc(Br)cc1C=CC(=O)Nc1ccccc1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide?
The InChIKey is KRQXDQYKDADSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-20-15-9-8-13(17)11-12(15)7-10-16(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19).
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide?
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 4989613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).