N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide

C17H16BrNO2 — CID 4199464

IUPACN-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H16BrNO2/c1-12-7-9-15(14(18)11-12)19-17(20)10-8-13-5-3-4-6-16(13)21-2/h3-11H,1-2H3,(H,19,20)
InChIKeyVZSKWYZDYBASNA-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.42
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 4199464) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID4199464
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H16BrNO2/c1-12-7-9-15(14(18)11-12)19-17(20)10-8-13-5-3-4-6-16(13)21-2/h3-11H,1-2H3,(H,19,20)
InChIKeyVZSKWYZDYBASNA-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.42
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)-N-[(2-bromo-4-methylphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 54784468
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
(E)-N-(2,4-dibromophenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 16562719
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 966729
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide
CID 45051343
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734246
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-N-(2,4-dibromophenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16591585

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 4199464) is N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1C=CC(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is VZSKWYZDYBASNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-12-7-9-15(14(18)11-12)19-17(20)10-8-13-5-3-4-6-16(13)21-2/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide?
N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 346.22 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4199464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).