4-tert-butyl-N-(9H-carbazol-3-yl)benzamide

C23H22N2O — CID 43917219

IUPAC4-tert-butyl-N-(9H-carbazol-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C23H22N2O/c1-23(2,3)16-10-8-15(9-11-16)22(26)24-17-12-13-21-19(14-17)18-6-4-5-7-20(18)25-21/h4-14,25H,1-3H3,(H,24,26)
InChIKeyMJRVGIMOSBTHDR-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.87
Rot. Bonds2

About 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide

4-tert-butyl-N-(9H-carbazol-3-yl)benzamide (PubChem CID 43917219) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(9H-carbazol-3-yl)benzamide
PubChem CID43917219
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name4-tert-butyl-N-(9H-carbazol-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C23H22N2O/c1-23(2,3)16-10-8-15(9-11-16)22(26)24-17-12-13-21-19(14-17)18-6-4-5-7-20(18)25-21/h4-14,25H,1-3H3,(H,24,26)
InChIKeyMJRVGIMOSBTHDR-UHFFFAOYSA-N
XLogP5.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
methyl 6-[(4-tert-butylbenzoyl)amino]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 162666310
1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea
CID 144925819
N-(9H-carbazol-3-yl)-2-methylfuran-3-carboxamide
CID 43917235
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
1-benzyl-3-(9H-carbazol-3-yl)urea
CID 118398507
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide (CID 43917219) is 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide?
The InChIKey is MJRVGIMOSBTHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-23(2,3)16-10-8-15(9-11-16)22(26)24-17-12-13-21-19(14-17)18-6-4-5-7-20(18)25-21/h4-14,25H,1-3H3,(H,24,26).
What are the key properties of 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide?
4-tert-butyl-N-(9H-carbazol-3-yl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 5.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(9H-carbazol-3-yl)benzamide is sourced from PubChem (CID 43917219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).