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

C16H19ClN2O — CID 10827392

IUPACN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCCc2c1c1cc(Cl)ccc1n2C
InChIInChI=1S/C16H19ClN2O/c1-10(20)18-9-11-4-3-5-15-16(11)13-8-12(17)6-7-14(13)19(15)2/h6-8,11H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyDTHCQOUMRVSFPY-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.39
Rot. Bonds2

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

N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide (PubChem CID 10827392) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
PubChem CID10827392
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCCc2c1c1cc(Cl)ccc1n2C
InChIInChI=1S/C16H19ClN2O/c1-10(20)18-9-11-4-3-5-15-16(11)13-8-12(17)6-7-14(13)19(15)2/h6-8,11H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyDTHCQOUMRVSFPY-UHFFFAOYSA-N
XLogP3.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.39
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

methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
CID 101347837
N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
CID 10685494
6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine
CID 84740019
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine
CID 10563187
6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 84741078
(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine
CID 83918924
N-[[(1R,2S,8R,9S)-11-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide
CID 169419720
N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
CID 11727151
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 71935646
3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide
CID 16646084
5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
CID 82666551

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide (CID 10827392) is N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide is CC(=O)NCC1CCCc2c1c1cc(Cl)ccc1n2C.
What is the InChIKey of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The InChIKey is DTHCQOUMRVSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10(20)18-9-11-4-3-5-15-16(11)13-8-12(17)6-7-14(13)19(15)2/h6-8,11H,3-5,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide has a molecular weight of 290.79 g/mol, XLogP of 3.39, 2 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]acetamide is sourced from PubChem (CID 10827392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).