(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide

C20H15Br2NO2 — CID 17111204

IUPAC(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCOc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H15Br2NO2/c1-25-20-14(11-15(21)12-17(20)22)9-10-19(24)23-18-8-4-6-13-5-2-3-7-16(13)18/h2-12H,1H3,(H,23,24)/b10-9+
InChIKeyWWSNZTOWONOCBC-MDZDMXLPSA-N
MW461.15 g/mol
LogP6.03
Rot. Bonds4

About (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide

(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (PubChem CID 17111204) has the molecular formula C20H15Br2NO2 and a molecular weight of 461.15 g/mol. Its IUPAC name is (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
PubChem CID17111204
Molecular FormulaC20H15Br2NO2
Molecular Weight461.15 g/mol
Exact Mass458.95
IUPAC Name(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCOc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H15Br2NO2/c1-25-20-14(11-15(21)12-17(20)22)9-10-19(24)23-18-8-4-6-13-5-2-3-7-16(13)18/h2-12H,1H3,(H,23,24)/b10-9+
InChIKeyWWSNZTOWONOCBC-MDZDMXLPSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.15
LogP ≤ 56.03
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-(2-methylquinolin-5-yl)prop-2-enamide
CID 17336281
3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 3632824
3-(3,5-dibromo-2-methoxyphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide
CID 3498943
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
ethyl 4-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 17117496
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]prop-2-enamide
CID 17359737
(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)-N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide
CID 21170855
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
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 (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (CID 17111204) is (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The InChIKey is WWSNZTOWONOCBC-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H15Br2NO2/c1-25-20-14(11-15(21)12-17(20)22)9-10-19(24)23-18-8-4-6-13-5-2-3-7-16(13)18/h2-12H,1H3,(H,23,24)/b10-9+.
What are the key properties of (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide has a molecular weight of 461.15 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 17111204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).