9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide

C22H18Cl2N2O2 — CID 174414684

IUPAC9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C22H18Cl2N2O2/c1-28-12-13-8-9-15-19(10-13)26(11-14-4-2-6-17(23)21(14)24)18-7-3-5-16(20(15)18)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27)
InChIKeyAFBZPCIMIAJOBD-UHFFFAOYSA-N
MW413.30 g/mol
LogP5.39
Rot. Bonds5

About 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide

9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide (PubChem CID 174414684) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
PubChem CID174414684
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C22H18Cl2N2O2/c1-28-12-13-8-9-15-19(10-13)26(11-14-4-2-6-17(23)21(14)24)18-7-3-5-16(20(15)18)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27)
InChIKeyAFBZPCIMIAJOBD-UHFFFAOYSA-N
XLogP5.39
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400045
9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414098
9-[(2,5-dimethylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400974
9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide
CID 174444274
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174417849
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174400343
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413

Frequently Asked Questions

What is the IUPAC name of 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide (CID 174414684) is 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide is COCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(Cl)c3Cl)c2c1.
What is the InChIKey of 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The InChIKey is AFBZPCIMIAJOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-28-12-13-8-9-15-19(10-13)26(11-14-4-2-6-17(23)21(14)24)18-7-3-5-16(20(15)18)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27).
What are the key properties of 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide has a molecular weight of 413.30 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).