N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C17H16BrNO3 — CID 3270628

IUPACN-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2Br)cc1OC
InChIInChI=1S/C17H16BrNO3/c1-21-15-9-7-12(11-16(15)22-2)8-10-17(20)19-14-6-4-3-5-13(14)18/h3-11H,1-2H3,(H,19,20)
InChIKeyUKGQIOCMKXGZDL-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.12
Rot. Bonds5

About N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 3270628) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID3270628
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC NameN-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2Br)cc1OC
InChIInChI=1S/C17H16BrNO3/c1-21-15-9-7-12(11-16(15)22-2)8-10-17(20)19-14-6-4-3-5-13(14)18/h3-11H,1-2H3,(H,19,20)
InChIKeyUKGQIOCMKXGZDL-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-bromophenyl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26536920
N-(2-bromophenyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 4283730
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
(E)-3-(3-bromo-4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 1183443
3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 5099183
3-(3,4-dimethoxyphenyl)-N-[4-(2-methoxyanilino)phenyl]prop-2-enamide
CID 3469016
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide
CID 76859483
methyl 5-bromo-2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoate
CID 5090353
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 3270628) is N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccccc2Br)cc1OC.
What is the InChIKey of N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is UKGQIOCMKXGZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-21-15-9-7-12(11-16(15)22-2)8-10-17(20)19-14-6-4-3-5-13(14)18/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 362.22 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3270628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).