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

C17H21ClN2O — CID 113096950

IUPACN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C17H21ClN2O/c1-10(2)7-17(21)19-12-4-6-16-14(9-12)13-8-11(18)3-5-15(13)20-16/h3,5,8,10,12,20H,4,6-7,9H2,1-2H3,(H,19,21)
InChIKeyRZOXRIHKAHWDKT-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.84
Rot. Bonds3

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

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide (PubChem CID 113096950) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
PubChem CID113096950
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C17H21ClN2O/c1-10(2)7-17(21)19-12-4-6-16-14(9-12)13-8-11(18)3-5-15(13)20-16/h3,5,8,10,12,20H,4,6-7,9H2,1-2H3,(H,19,21)
InChIKeyRZOXRIHKAHWDKT-UHFFFAOYSA-N
XLogP3.84
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.84
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

1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]acetamide
CID 92757868
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
CID 113096971
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
CID 113096983
3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
CID 92756876
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one
CID 18971903

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide?
The IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide (CID 113096950) is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide is CC(C)CC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide?
The InChIKey is RZOXRIHKAHWDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-10(2)7-17(21)19-12-4-6-16-14(9-12)13-8-11(18)3-5-15(13)20-16/h3,5,8,10,12,20H,4,6-7,9H2,1-2H3,(H,19,21).
What are the key properties of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide?
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide has a molecular weight of 304.82 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide is sourced from PubChem (CID 113096950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).