7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide

C26H16ClF3N2O — CID 174414809

IUPAC7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1cc(F)cc(F)c1F
InChIInChI=1S/C26H16ClF3N2O/c27-17-7-4-14(5-8-17)15-6-9-19-23(11-15)32(13-16-10-18(28)12-21(29)25(16)30)22-3-1-2-20(24(19)22)26(31)33/h1-12H,13H2,(H2,31,33)
InChIKeyHIMVLLJAKMNYQC-UHFFFAOYSA-N
MW464.87 g/mol
LogP6.68
Rot. Bonds4

About 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide

7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174414809) has the molecular formula C26H16ClF3N2O and a molecular weight of 464.87 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
PubChem CID174414809
Molecular FormulaC26H16ClF3N2O
Molecular Weight464.87 g/mol
Exact Mass464.09
IUPAC Name7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1cc(F)cc(F)c1F
InChIInChI=1S/C26H16ClF3N2O/c27-17-7-4-14(5-8-17)15-6-9-19-23(11-15)32(13-16-10-18(28)12-21(29)25(16)30)22-3-1-2-20(24(19)22)26(31)33/h1-12H,13H2,(H2,31,33)
InChIKeyHIMVLLJAKMNYQC-UHFFFAOYSA-N
XLogP6.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.87
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414567
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174400395
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174418464
7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174399731
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174401684

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide (CID 174414809) is 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1cc(F)cc(F)c1F.
What is the InChIKey of 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is HIMVLLJAKMNYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClF3N2O/c27-17-7-4-14(5-8-17)15-6-9-19-23(11-15)32(13-16-10-18(28)12-21(29)25(16)30)22-3-1-2-20(24(19)22)26(31)33/h1-12H,13H2,(H2,31,33).
What are the key properties of 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide?
7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 464.87 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).