2-bromo-4-chloro-5-methoxybenzamide

C8H7BrClNO2 — CID 68605828

IUPAC2-bromo-4-chloro-5-methoxybenzamide
SMILESCOc1cc(C(N)=O)c(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO2/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H2,11,12)
InChIKeyIFHDUFFORLESJQ-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.21
Rot. Bonds2

About 2-bromo-4-chloro-5-methoxybenzamide

2-bromo-4-chloro-5-methoxybenzamide (PubChem CID 68605828) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-5-methoxybenzamide
PubChem CID68605828
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name2-bromo-4-chloro-5-methoxybenzamide
SMILESCOc1cc(C(N)=O)c(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO2/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H2,11,12)
InChIKeyIFHDUFFORLESJQ-UHFFFAOYSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
2-bromo-4,5-dimethoxybenzenecarbothioamide
CID 60925363
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
4-chloro-2-methoxybenzamide
CID 19741766
2-bromo-4,5-dipropoxybenzamide
CID 82552405
2-amino-3-bromo-5-methoxy-4-methylbenzamide
CID 172598831
1-bromo-4-chloro-2-fluoro-5-methoxybenzene;4-chloro-2-fluoro-5-methoxyaniline
CID 158676801
3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide
CID 107659948
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-methoxybenzamide?
The IUPAC name of 2-bromo-4-chloro-5-methoxybenzamide (CID 68605828) is 2-bromo-4-chloro-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-4-chloro-5-methoxybenzamide?
The canonical SMILES for 2-bromo-4-chloro-5-methoxybenzamide is COc1cc(C(N)=O)c(Br)cc1Cl.
What is the InChIKey of 2-bromo-4-chloro-5-methoxybenzamide?
The InChIKey is IFHDUFFORLESJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H2,11,12).
What are the key properties of 2-bromo-4-chloro-5-methoxybenzamide?
2-bromo-4-chloro-5-methoxybenzamide has a molecular weight of 264.51 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-methoxybenzamide is sourced from PubChem (CID 68605828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).