2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide

C16H14Br2ClNO4 — CID 53267535

IUPAC2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2Cl)c(Br)c(OC)c1OC
InChIInChI=1S/C16H14Br2ClNO4/c1-22-12-7-9(13(18)15(24-3)14(12)23-2)16(21)20-11-5-4-8(17)6-10(11)19/h4-7H,1-3H3,(H,20,21)
InChIKeyUNXHNWYVGNXNKM-UHFFFAOYSA-N
MW479.55 g/mol
LogP5.14
Rot. Bonds5

About 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide

2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide (PubChem CID 53267535) has the molecular formula C16H14Br2ClNO4 and a molecular weight of 479.55 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
PubChem CID53267535
Molecular FormulaC16H14Br2ClNO4
Molecular Weight479.55 g/mol
Exact Mass476.90
IUPAC Name2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2Cl)c(Br)c(OC)c1OC
InChIInChI=1S/C16H14Br2ClNO4/c1-22-12-7-9(13(18)15(24-3)14(12)23-2)16(21)20-11-5-4-8(17)6-10(11)19/h4-7H,1-3H3,(H,20,21)
InChIKeyUNXHNWYVGNXNKM-UHFFFAOYSA-N
XLogP5.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
CID 1190293
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171551
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
CID 19171527
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide (CID 53267535) is 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(Br)cc2Cl)c(Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is UNXHNWYVGNXNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClNO4/c1-22-12-7-9(13(18)15(24-3)14(12)23-2)16(21)20-11-5-4-8(17)6-10(11)19/h4-7H,1-3H3,(H,20,21).
What are the key properties of 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide?
2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 479.55 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 53267535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).