9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide

C22H18ClFN2O2 — CID 174400045

IUPAC9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3c(F)cccc3Cl)c2c1
InChIInChI=1S/C22H18ClFN2O2/c1-28-12-13-8-9-14-20(10-13)26(11-16-17(23)5-3-6-18(16)24)19-7-2-4-15(21(14)19)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27)
InChIKeyHXODKOUCNUOGQQ-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.88
Rot. Bonds5

About 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide

9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide (PubChem CID 174400045) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
PubChem CID174400045
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3c(F)cccc3Cl)c2c1
InChIInChI=1S/C22H18ClFN2O2/c1-28-12-13-8-9-14-20(10-13)26(11-16-17(23)5-3-6-18(16)24)19-7-2-4-15(21(14)19)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27)
InChIKeyHXODKOUCNUOGQQ-UHFFFAOYSA-N
XLogP4.88
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414684
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174400395
9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide
CID 174444274
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174417849
9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
9-[(2,5-dimethylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400974
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
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-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
9-[(2,6-dichlorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174440701
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide (CID 174400045) is 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide is COCc1ccc2c3c(C(N)=O)cccc3n(Cc3c(F)cccc3Cl)c2c1.
What is the InChIKey of 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The InChIKey is HXODKOUCNUOGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-28-12-13-8-9-14-20(10-13)26(11-16-17(23)5-3-6-18(16)24)19-7-2-4-15(21(14)19)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27).
What are the key properties of 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide has a molecular weight of 396.85 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174400045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).