3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide

C20H14Cl2N2O — CID 123332297

IUPAC3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide
SMILESCc1ccc2c(c1)[nH]c1c(C(N)=O)cc(-c3ccc(Cl)c(Cl)c3)cc12
InChIInChI=1S/C20H14Cl2N2O/c1-10-2-4-13-14-7-12(11-3-5-16(21)17(22)9-11)8-15(20(23)25)19(14)24-18(13)6-10/h2-9,24H,1H3,(H2,23,25)
InChIKeyVFRWLYJJECTNEH-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.70
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide

3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide (PubChem CID 123332297) has the molecular formula C20H14Cl2N2O and a molecular weight of 369.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide
PubChem CID123332297
Molecular FormulaC20H14Cl2N2O
Molecular Weight369.25 g/mol
Exact Mass368.05
IUPAC Name3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide
SMILESCc1ccc2c(c1)[nH]c1c(C(N)=O)cc(-c3ccc(Cl)c(Cl)c3)cc12
InChIInChI=1S/C20H14Cl2N2O/c1-10-2-4-13-14-7-12(11-3-5-16(21)17(22)9-11)8-15(20(23)25)19(14)24-18(13)6-10/h2-9,24H,1H3,(H2,23,25)
InChIKeyVFRWLYJJECTNEH-UHFFFAOYSA-N
XLogP5.70
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide (CID 123332297) is 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide is Cc1ccc2c(c1)[nH]c1c(C(N)=O)cc(-c3ccc(Cl)c(Cl)c3)cc12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide?
The InChIKey is VFRWLYJJECTNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O/c1-10-2-4-13-14-7-12(11-3-5-16(21)17(22)9-11)8-15(20(23)25)19(14)24-18(13)6-10/h2-9,24H,1H3,(H2,23,25).
What are the key properties of 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide?
3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide has a molecular weight of 369.25 g/mol, XLogP of 5.70, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide is sourced from PubChem (CID 123332297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).