2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide

C19H17ClN2O — CID 84579227

IUPAC2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
SMILESO=C(NC1CCc2c([nH]c3ccccc23)C1)c1ccccc1Cl
InChIInChI=1S/C19H17ClN2O/c20-16-7-3-1-6-15(16)19(23)21-12-9-10-14-13-5-2-4-8-17(13)22-18(14)11-12/h1-8,12,22H,9-11H2,(H,21,23)
InChIKeyULFLIJPROCXDCR-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.11
Rot. Bonds2

About 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide

2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide (PubChem CID 84579227) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
PubChem CID84579227
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
SMILESO=C(NC1CCc2c([nH]c3ccccc23)C1)c1ccccc1Cl
InChIInChI=1S/C19H17ClN2O/c20-16-7-3-1-6-15(16)19(23)21-12-9-10-14-13-5-2-4-8-17(13)22-18(14)11-12/h1-8,12,22H,9-11H2,(H,21,23)
InChIKeyULFLIJPROCXDCR-UHFFFAOYSA-N
XLogP4.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84580106
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)naphthalene-1-carboxamide
CID 84579674
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356
(2S)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 86306921
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686
5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579933
2-chloro-N-cyclopentylbenzamide
CID 669043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide (CID 84579227) is 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide is O=C(NC1CCc2c([nH]c3ccccc23)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The InChIKey is ULFLIJPROCXDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-16-7-3-1-6-15(16)19(23)21-12-9-10-14-13-5-2-4-8-17(13)22-18(14)11-12/h1-8,12,22H,9-11H2,(H,21,23).
What are the key properties of 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide has a molecular weight of 324.81 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide is sourced from PubChem (CID 84579227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).