(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide

C17H16BrNO2 — CID 880833

IUPAC(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H16BrNO2/c1-12-3-7-15(8-4-12)19-17(20)10-5-13-11-14(18)6-9-16(13)21-2/h3-11H,1-2H3,(H,19,20)/b10-5+
InChIKeyABVVHOSKXQIKJG-BJMVGYQFSA-N
MW346.22 g/mol
LogP4.42
Rot. Bonds4

About (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide

(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 880833) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
PubChem CID880833
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H16BrNO2/c1-12-3-7-15(8-4-12)19-17(20)10-5-13-11-14(18)6-9-16(13)21-2/h3-11H,1-2H3,(H,19,20)/b10-5+
InChIKeyABVVHOSKXQIKJG-BJMVGYQFSA-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

N-(Cinnamoyl)-4-methoxyaniline
CID 690965
N-(4-bromophenyl)-2-methoxybenzamide
CID 531916
N-(4-bromo-2-methylphenyl)-2-methoxybenzamide
CID 873426
5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide
CID 953794
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4788831
N-{4-[3-(5-bromo-2-methoxyphenyl)acryloyl]phenyl}acetamide
CID 5738109
5-Bromo-N-(3-methylphenyl)-2-[(phenylmethyl)oxy]benzamide
CID 51356954
N-(3-bromophenyl)-2-methoxybenzamide
CID 723784
5-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 802608
2-(4-bromo-2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 803111
2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 803500
5-bromo-2-methoxy-N-(3-methylphenyl)benzamide
CID 880502

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide (CID 880833) is (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide is COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is ABVVHOSKXQIKJG-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-12-3-7-15(8-4-12)19-17(20)10-5-13-11-14(18)6-9-16(13)21-2/h3-11H,1-2H3,(H,19,20)/b10-5+.
What are the key properties of (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide?
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)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 (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 880833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).