2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide

C18H19BrClNO5 — CID 1190293

IUPAC2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br
InChIInChI=1S/C18H19BrClNO5/c1-9-6-12(13(23-2)8-11(9)20)21-18(22)10-7-14(24-3)16(25-4)17(26-5)15(10)19/h6-8H,1-5H3,(H,21,22)
InChIKeyANTOUQQPLAOCSI-UHFFFAOYSA-N
MW444.71 g/mol
LogP4.70
Rot. Bonds6

About 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide

2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 1190293) has the molecular formula C18H19BrClNO5 and a molecular weight of 444.71 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID1190293
Molecular FormulaC18H19BrClNO5
Molecular Weight444.71 g/mol
Exact Mass443.01
IUPAC Name2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br
InChIInChI=1S/C18H19BrClNO5/c1-9-6-12(13(23-2)8-11(9)20)21-18(22)10-7-14(24-3)16(25-4)17(26-5)15(10)19/h6-8H,1-5H3,(H,21,22)
InChIKeyANTOUQQPLAOCSI-UHFFFAOYSA-N
XLogP4.70
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.71
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 53267535
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide (CID 1190293) is 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br.
What is the InChIKey of 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is ANTOUQQPLAOCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO5/c1-9-6-12(13(23-2)8-11(9)20)21-18(22)10-7-14(24-3)16(25-4)17(26-5)15(10)19/h6-8H,1-5H3,(H,21,22).
What are the key properties of 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide?
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 444.71 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1190293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).