N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide

C17H17BrClNO4 — CID 60611767

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C17H17BrClNO4/c1-22-14-8-11(19)4-5-12(14)17(21)20-9-10-6-13(18)16(24-3)15(7-10)23-2/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyOYPPQOOYLJSMSW-UHFFFAOYSA-N
MW414.68 g/mol
LogP4.06
Rot. Bonds6

About N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide (PubChem CID 60611767) has the molecular formula C17H17BrClNO4 and a molecular weight of 414.68 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
PubChem CID60611767
Molecular FormulaC17H17BrClNO4
Molecular Weight414.68 g/mol
Exact Mass413.00
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C17H17BrClNO4/c1-22-14-8-11(19)4-5-12(14)17(21)20-9-10-6-13(18)16(24-3)15(7-10)23-2/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyOYPPQOOYLJSMSW-UHFFFAOYSA-N
XLogP4.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483412
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide (CID 60611767) is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCc1cc(Br)c(OC)c(OC)c1.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide?
The InChIKey is OYPPQOOYLJSMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO4/c1-22-14-8-11(19)4-5-12(14)17(21)20-9-10-6-13(18)16(24-3)15(7-10)23-2/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide?
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide has a molecular weight of 414.68 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 60611767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).