3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide

C21H21ClN2O2 — CID 59014594

IUPAC3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(C)cc32)cc1Cl
InChIInChI=1S/C21H21ClN2O2/c1-12-6-8-17-15(10-12)14-4-3-5-18(20(14)23-17)24-21(25)13-7-9-19(26-2)16(22)11-13/h6-11,18,23H,3-5H2,1-2H3,(H,24,25)
InChIKeyDWFONWLINXKEEF-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.95
Rot. Bonds3

About 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide

3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide (PubChem CID 59014594) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide
PubChem CID59014594
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(C)cc32)cc1Cl
InChIInChI=1S/C21H21ClN2O2/c1-12-6-8-17-15(10-12)14-4-3-5-18(20(14)23-17)24-21(25)13-7-9-19(26-2)16(22)11-13/h6-11,18,23H,3-5H2,1-2H3,(H,24,25)
InChIKeyDWFONWLINXKEEF-UHFFFAOYSA-N
XLogP4.95
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide (CID 59014594) is 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide is COc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(C)cc32)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide?
The InChIKey is DWFONWLINXKEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-12-6-8-17-15(10-12)14-4-3-5-18(20(14)23-17)24-21(25)13-7-9-19(26-2)16(22)11-13/h6-11,18,23H,3-5H2,1-2H3,(H,24,25).
What are the key properties of 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide?
3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide has a molecular weight of 368.86 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide is sourced from PubChem (CID 59014594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).