7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide

C20H14ClIN2O — CID 174414775

IUPAC7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1I
InChIInChI=1S/C20H14ClIN2O/c21-13-8-9-14-18(10-13)24(11-12-4-1-2-6-16(12)22)17-7-3-5-15(19(14)17)20(23)25/h1-10H,11H2,(H2,23,25)
InChIKeyPUOGZFGRPWUGDI-UHFFFAOYSA-N
MW460.70 g/mol
LogP5.20
Rot. Bonds3

About 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide

7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174414775) has the molecular formula C20H14ClIN2O and a molecular weight of 460.70 g/mol. Its IUPAC name is 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
PubChem CID174414775
Molecular FormulaC20H14ClIN2O
Molecular Weight460.70 g/mol
Exact Mass459.98
IUPAC Name7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1I
InChIInChI=1S/C20H14ClIN2O/c21-13-8-9-14-18(10-13)24(11-12-4-1-2-6-16(12)22)17-7-3-5-15(19(14)17)20(23)25/h1-10H,11H2,(H2,23,25)
InChIKeyPUOGZFGRPWUGDI-UHFFFAOYSA-N
XLogP5.20
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(2,6-dichlorophenyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174440765
7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174400343
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
CID 174414136
7-(furan-2-yl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414539
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
9-[(2-bromophenyl)methyl]-7-(2,4-dichlorophenyl)carbazole-4-carboxamide
CID 174400340
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174418464
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178

Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide (CID 174414775) is 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1I.
What is the InChIKey of 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is PUOGZFGRPWUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClIN2O/c21-13-8-9-14-18(10-13)24(11-12-4-1-2-6-16(12)22)17-7-3-5-15(19(14)17)20(23)25/h1-10H,11H2,(H2,23,25).
What are the key properties of 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide?
7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 460.70 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).