N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide

C19H23ClN2O — CID 10758853

IUPACN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide
SMILESCn1c2c(c3cc(Cl)ccc31)C(CNC(=O)C1CCC1)CCC2
InChIInChI=1S/C19H23ClN2O/c1-22-16-9-8-14(20)10-15(16)18-13(6-3-7-17(18)22)11-21-19(23)12-4-2-5-12/h8-10,12-13H,2-7,11H2,1H3,(H,21,23)
InChIKeyPFTKAFXUIIUTHV-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.17
Rot. Bonds3

About N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide

N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 10758853) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide
PubChem CID10758853
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide
SMILESCn1c2c(c3cc(Cl)ccc31)C(CNC(=O)C1CCC1)CCC2
InChIInChI=1S/C19H23ClN2O/c1-22-16-9-8-14(20)10-15(16)18-13(6-3-7-17(18)22)11-21-19(23)12-4-2-5-12/h8-10,12-13H,2-7,11H2,1H3,(H,21,23)
InChIKeyPFTKAFXUIIUTHV-UHFFFAOYSA-N
XLogP4.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

EX 527
CID 5113032
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707029
1-(4-Benzyl-piperazin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 18669091
1-(4-Benzyl-4-fluoro-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 44334127
trans-(1R,2R)-2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-N-(1-cyanocyclopropyl)cyclohexane-1-carboxamide
CID 25142172
N-[2-(2-phenylindol-1-yl)ethyl]propanamide
CID 10493872
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclopropylmethyl-piperazin-1-yl)-propan-1-one
CID 44333607
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-[4-(3-methyl-butyl)-piperazin-1-yl]-propan-1-one
CID 44334275
Cyclohexanecarboxylic acid (1-methyl-1H-indol-2-ylmethyl)-amide
CID 6498693
Cyclohexanecarboxylic acid (1-ethyl-1H-indol-2-ylmethyl)-amide
CID 6498721
N-(4-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 16019089
N-(3-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 20899770

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide (CID 10758853) is N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide is Cn1c2c(c3cc(Cl)ccc31)C(CNC(=O)C1CCC1)CCC2.
What is the InChIKey of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is PFTKAFXUIIUTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-22-16-9-8-14(20)10-15(16)18-13(6-3-7-17(18)22)11-21-19(23)12-4-2-5-12/h8-10,12-13H,2-7,11H2,1H3,(H,21,23).
What are the key properties of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide?
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 330.86 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 10758853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).