(E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide

C15H10BrCl2NO — CID 1001666

IUPAC(E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccccc1Br
InChIInChI=1S/C15H10BrCl2NO/c16-11-4-1-2-7-14(11)19-15(20)9-8-10-12(17)5-3-6-13(10)18/h1-9H,(H,19,20)/b9-8+
InChIKeyHMCLTRWLALHOBC-CMDGGOBGSA-N
MW371.06 g/mol
LogP5.41
Rot. Bonds3

About (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide

(E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide (PubChem CID 1001666) has the molecular formula C15H10BrCl2NO and a molecular weight of 371.06 g/mol. Its IUPAC name is (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
PubChem CID1001666
Molecular FormulaC15H10BrCl2NO
Molecular Weight371.06 g/mol
Exact Mass368.93
IUPAC Name(E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccccc1Br
InChIInChI=1S/C15H10BrCl2NO/c16-11-4-1-2-7-14(11)19-15(20)9-8-10-12(17)5-3-6-13(10)18/h1-9H,(H,19,20)/b9-8+
InChIKeyHMCLTRWLALHOBC-CMDGGOBGSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.06
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 92909271
N-(2-bromo-4-methylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 4653770
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
N-(2-bromophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
CID 94847083
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780629
3-(2,6-dichlorophenyl)-N-[4-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 3575829
(E)-3-(2,6-dichlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 26877037
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
(E)-N-(2-bromophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 26719106
methyl N-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenyl]carbamate
CID 55804764
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide (CID 1001666) is (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccccc1Br.
What is the InChIKey of (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide?
The InChIKey is HMCLTRWLALHOBC-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H10BrCl2NO/c16-11-4-1-2-7-14(11)19-15(20)9-8-10-12(17)5-3-6-13(10)18/h1-9H,(H,19,20)/b9-8+.
What are the key properties of (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide?
(E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide has a molecular weight of 371.06 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 1001666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).