N-(2-bromo-4-chloro-5-methoxyphenyl)formamide

C8H7BrClNO2 — CID 168654011

IUPACN-(2-bromo-4-chloro-5-methoxyphenyl)formamide
SMILESCOc1cc(NC=O)c(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO2/c1-13-8-3-7(11-4-12)5(9)2-6(8)10/h2-4H,1H3,(H,11,12)
InChIKeyZMAVHAZWMUUVEZ-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.68
Rot. Bonds3

About N-(2-bromo-4-chloro-5-methoxyphenyl)formamide

N-(2-bromo-4-chloro-5-methoxyphenyl)formamide (PubChem CID 168654011) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is N-(2-bromo-4-chloro-5-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-(2-bromo-4-chloro-5-methoxyphenyl)formamide
PubChem CID168654011
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC NameN-(2-bromo-4-chloro-5-methoxyphenyl)formamide
SMILESCOc1cc(NC=O)c(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO2/c1-13-8-3-7(11-4-12)5(9)2-6(8)10/h2-4H,1H3,(H,11,12)
InChIKeyZMAVHAZWMUUVEZ-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(2-bromo-4-chloro-5-methoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168538131
N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide
CID 168652048
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
2-(2-bromo-5-chloro-4-methoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168609705
2-(4-bromo-2-chloro-5-methoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168607242
methyl (E)-3-(2,4-dibromo-5-methoxyanilino)prop-2-enoate
CID 103414983
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 66340346
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde
CID 83902189

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chloro-5-methoxyphenyl)formamide?
The IUPAC name of N-(2-bromo-4-chloro-5-methoxyphenyl)formamide (CID 168654011) is N-(2-bromo-4-chloro-5-methoxyphenyl)formamide.
What is the SMILES notation for N-(2-bromo-4-chloro-5-methoxyphenyl)formamide?
The canonical SMILES for N-(2-bromo-4-chloro-5-methoxyphenyl)formamide is COc1cc(NC=O)c(Br)cc1Cl.
What is the InChIKey of N-(2-bromo-4-chloro-5-methoxyphenyl)formamide?
The InChIKey is ZMAVHAZWMUUVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-13-8-3-7(11-4-12)5(9)2-6(8)10/h2-4H,1H3,(H,11,12).
What are the key properties of N-(2-bromo-4-chloro-5-methoxyphenyl)formamide?
N-(2-bromo-4-chloro-5-methoxyphenyl)formamide has a molecular weight of 264.51 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chloro-5-methoxyphenyl)formamide is sourced from PubChem (CID 168654011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).