N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide

C16H16BrNO4 — CID 19172117

IUPACN-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(OC)c(Br)cc2OC)c1
InChIInChI=1S/C16H16BrNO4/c1-20-11-6-4-5-10(7-11)16(19)18-13-9-14(21-2)12(17)8-15(13)22-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGIHFVFLHSYEXJS-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.73
Rot. Bonds5

About N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide

N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide (PubChem CID 19172117) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
PubChem CID19172117
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC NameN-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(OC)c(Br)cc2OC)c1
InChIInChI=1S/C16H16BrNO4/c1-20-11-6-4-5-10(7-11)16(19)18-13-9-14(21-2)12(17)8-15(13)22-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGIHFVFLHSYEXJS-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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Related Compounds

4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
N-(2,4-dibromo-5-methoxyphenyl)-3-sulfanylbenzamide
CID 107037079
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
CID 91674531
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
1-[3-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 79403294
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide?
The IUPAC name of N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide (CID 19172117) is N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(OC)c(Br)cc2OC)c1.
What is the InChIKey of N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide?
The InChIKey is GIHFVFLHSYEXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-20-11-6-4-5-10(7-11)16(19)18-13-9-14(21-2)12(17)8-15(13)22-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide?
N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide 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-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide is sourced from PubChem (CID 19172117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).