N-(4-bromophenyl)-3,4,5-trimethoxybenzamide

C16H16BrNO4 — CID 1019287

IUPACN-(4-bromophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C16H16BrNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,1-3H3,(H,18,19)
InChIKeyIONWMMRVQGKQRL-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.73
Rot. Bonds5

About N-(4-bromophenyl)-3,4,5-trimethoxybenzamide

N-(4-bromophenyl)-3,4,5-trimethoxybenzamide (PubChem CID 1019287) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,4,5-trimethoxybenzamide
PubChem CID1019287
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC NameN-(4-bromophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C16H16BrNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,1-3H3,(H,18,19)
InChIKeyIONWMMRVQGKQRL-UHFFFAOYSA-N
XLogP3.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-bromophenyl)-3,4,5-trimethoxybenzamide (CID 1019287) is N-(4-bromophenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-bromophenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-bromophenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(Br)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-bromophenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is IONWMMRVQGKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3,4,5-trimethoxybenzamide?
N-(4-bromophenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 366.21 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1019287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).