2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide

C9H5Br2Cl2NO — CID 131059733

IUPAC2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C9H5Br2Cl2NO/c1-4(12)9(15)14-8-6(10)2-5(13)3-7(8)11/h2-3H,1H2,(H,14,15)
InChIKeyHGXRQMXMYAROPC-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.56
Rot. Bonds2

About 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide

2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide (PubChem CID 131059733) has the molecular formula C9H5Br2Cl2NO and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide
PubChem CID131059733
Molecular FormulaC9H5Br2Cl2NO
Molecular Weight373.86 g/mol
Exact Mass370.81
IUPAC Name2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C9H5Br2Cl2NO/c1-4(12)9(15)14-8-6(10)2-5(13)3-7(8)11/h2-3H,1H2,(H,14,15)
InChIKeyHGXRQMXMYAROPC-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.56
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

1,3-bis(2,6-dibromo-4-chlorophenyl)urea
CID 3259704
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
CID 114209129
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline
CID 130483994
N-(2,6-dibromo-4-chlorophenyl)furan-2-carboxamide
CID 4192583
N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 166517759
2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 114209117
2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
CID 114209116
N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 114209112
(2-bromo-4-chlorophenyl)urea
CID 81003362
3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide
CID 155666927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide (CID 131059733) is 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide is C=C(Cl)C(=O)Nc1c(Br)cc(Cl)cc1Br.
What is the InChIKey of 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide?
The InChIKey is HGXRQMXMYAROPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2Cl2NO/c1-4(12)9(15)14-8-6(10)2-5(13)3-7(8)11/h2-3H,1H2,(H,14,15).
What are the key properties of 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide?
2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide has a molecular weight of 373.86 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 131059733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).