9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide

C22H18Cl2N2O — CID 174400697

IUPAC9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C22H18Cl2N2O/c1-2-13-6-7-17-20(10-13)26(12-14-8-15(23)11-16(24)9-14)19-5-3-4-18(21(17)19)22(25)27/h3-11H,2,12H2,1H3,(H2,25,27)
InChIKeyUTUCQSPODILXLE-UHFFFAOYSA-N
MW397.31 g/mol
LogP5.81
Rot. Bonds4

About 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide

9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide (PubChem CID 174400697) has the molecular formula C22H18Cl2N2O and a molecular weight of 397.31 g/mol. Its IUPAC name is 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
PubChem CID174400697
Molecular FormulaC22H18Cl2N2O
Molecular Weight397.31 g/mol
Exact Mass396.08
IUPAC Name9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C22H18Cl2N2O/c1-2-13-6-7-17-20(10-13)26(12-14-8-15(23)11-16(24)9-14)19-5-3-4-18(21(17)19)22(25)27/h3-11H,2,12H2,1H3,(H2,25,27)
InChIKeyUTUCQSPODILXLE-UHFFFAOYSA-N
XLogP5.81
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
7-ethyl-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174414739
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414795
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
9-(cyclopropylmethyl)-7-ethylcarbazole-4-carboxamide
CID 174418330
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide (CID 174400697) is 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide is CCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(Cl)cc(Cl)c3)c2c1.
What is the InChIKey of 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide?
The InChIKey is UTUCQSPODILXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O/c1-2-13-6-7-17-20(10-13)26(12-14-8-15(23)11-16(24)9-14)19-5-3-4-18(21(17)19)22(25)27/h3-11H,2,12H2,1H3,(H2,25,27).
What are the key properties of 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide?
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide has a molecular weight of 397.31 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide is sourced from PubChem (CID 174400697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).