3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide

C19H20BrNO2 — CID 5099183

IUPAC3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2C(C)C)cc1Br
InChIInChI=1S/C19H20BrNO2/c1-13(2)15-6-4-5-7-17(15)21-19(22)11-9-14-8-10-18(23-3)16(20)12-14/h4-13H,1-3H3,(H,21,22)
InChIKeyVNLQKCBUZDAECK-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.23
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide

3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide (PubChem CID 5099183) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
PubChem CID5099183
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2C(C)C)cc1Br
InChIInChI=1S/C19H20BrNO2/c1-13(2)15-6-4-5-7-17(15)21-19(22)11-9-14-8-10-18(23-3)16(20)12-14/h4-13H,1-3H3,(H,21,22)
InChIKeyVNLQKCBUZDAECK-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.23
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-(3-bromo-4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 1183443
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 7959290
3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 5044357
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
3-(3-bromo-4-methoxyphenyl)-N-(2-butoxyphenyl)prop-2-enamide
CID 3609186
(E)-3-(3-bromo-4-methoxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 1183429
(E)-3-(3-bromo-4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 1184644
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
3-(3,4-dimethoxyphenyl)-N-[2-[hydroxy-(prop-2-ynylamino)methyl]phenyl]prop-2-enamide
CID 123922877

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide (CID 5099183) is 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccccc2C(C)C)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is VNLQKCBUZDAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-13(2)15-6-4-5-7-17(15)21-19(22)11-9-14-8-10-18(23-3)16(20)12-14/h4-13H,1-3H3,(H,21,22).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 374.28 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 5099183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).