3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide

C18H17Br2NO2 — CID 3632824

IUPAC3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
SMILESCOc1c(Br)cc(Br)cc1C=CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H17Br2NO2/c1-11-4-5-12(2)16(8-11)21-17(22)7-6-13-9-14(19)10-15(20)18(13)23-3/h4-10H,1-3H3,(H,21,22)
InChIKeyLKAZIUYMUDTVEM-UHFFFAOYSA-N
MW439.15 g/mol
LogP5.49
Rot. Bonds4

About 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide

3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide (PubChem CID 3632824) has the molecular formula C18H17Br2NO2 and a molecular weight of 439.15 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
PubChem CID3632824
Molecular FormulaC18H17Br2NO2
Molecular Weight439.15 g/mol
Exact Mass436.96
IUPAC Name3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
SMILESCOc1c(Br)cc(Br)cc1C=CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H17Br2NO2/c1-11-4-5-12(2)16(8-11)21-17(22)7-6-13-9-14(19)10-15(20)18(13)23-3/h4-10H,1-3H3,(H,21,22)
InChIKeyLKAZIUYMUDTVEM-UHFFFAOYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.15
LogP ≤ 55.49
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-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 17111204
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-(2-methylquinolin-5-yl)prop-2-enamide
CID 17336281
3-(5-bromo-2-ethoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 4096467
ethyl 4-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 17117496
(E)-N-(2,4-dibromophenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 16562719
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 17361653
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide
CID 1116383
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-(1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 17172124
3-(3,5-dibromo-2-methoxyphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide
CID 3498943
methyl 3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 7669545
N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide
CID 5090207
N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 3315853

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide?
The IUPAC name of 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide (CID 3632824) is 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide is COc1c(Br)cc(Br)cc1C=CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide?
The InChIKey is LKAZIUYMUDTVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2NO2/c1-11-4-5-12(2)16(8-11)21-17(22)7-6-13-9-14(19)10-15(20)18(13)23-3/h4-10H,1-3H3,(H,21,22).
What are the key properties of 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide?
3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide has a molecular weight of 439.15 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 3632824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).