4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide

C16H15BrClNO4 — CID 60597741

IUPAC4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide
SMILESCOc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c(Cl)c1
InChIInChI=1S/C16H15BrClNO4/c1-21-10-4-5-12(11(18)8-10)19-16(20)9-6-13(22-2)15(17)14(7-9)23-3/h4-8H,1-3H3,(H,19,20)
InChIKeyKNOPQHQERZIONO-UHFFFAOYSA-N
MW400.66 g/mol
LogP4.38
Rot. Bonds5

About 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide

4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide (PubChem CID 60597741) has the molecular formula C16H15BrClNO4 and a molecular weight of 400.66 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide
PubChem CID60597741
Molecular FormulaC16H15BrClNO4
Molecular Weight400.66 g/mol
Exact Mass398.99
IUPAC Name4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide
SMILESCOc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c(Cl)c1
InChIInChI=1S/C16H15BrClNO4/c1-21-10-4-5-12(11(18)8-10)19-16(20)9-6-13(22-2)15(17)14(7-9)23-3/h4-8H,1-3H3,(H,19,20)
InChIKeyKNOPQHQERZIONO-UHFFFAOYSA-N
XLogP4.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.66
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600
4-amino-3,5-dichloro-N-(2-hydroxy-4-methoxyphenyl)benzamide
CID 102695314
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide (CID 60597741) is 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide is COc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c(Cl)c1.
What is the InChIKey of 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide?
The InChIKey is KNOPQHQERZIONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO4/c1-21-10-4-5-12(11(18)8-10)19-16(20)9-6-13(22-2)15(17)14(7-9)23-3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide?
4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide has a molecular weight of 400.66 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 60597741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).