N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide

C17H21ClN2O — CID 71825807

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C17H21ClN2O/c1-10(2)9-15(21)19-14-8-4-6-12-11-5-3-7-13(18)16(11)20-17(12)14/h3,5,7,10,14,20H,4,6,8-9H2,1-2H3,(H,19,21)
InChIKeyVYVIIZWBVONXJX-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.36
Rot. Bonds3

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide (PubChem CID 71825807) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide
PubChem CID71825807
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C17H21ClN2O/c1-10(2)9-15(21)19-14-8-4-6-12-11-5-3-7-13(18)16(11)20-17(12)14/h3,5,7,10,14,20H,4,6,8-9H2,1-2H3,(H,19,21)
InChIKeyVYVIIZWBVONXJX-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide (CID 71825807) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide is CC(C)CC(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide?
The InChIKey is VYVIIZWBVONXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-10(2)9-15(21)19-14-8-4-6-12-11-5-3-7-13(18)16(11)20-17(12)14/h3,5,7,10,14,20H,4,6,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide has a molecular weight of 304.82 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide is sourced from PubChem (CID 71825807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).