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

C17H21ClN2O — CID 97424397

IUPACN-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C17H21ClN2O/c1-10(2)8-16(21)19-15-5-3-4-12-13-9-11(18)6-7-14(13)20-17(12)15/h6-7,9-10,15,20H,3-5,8H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyXHKNWKLSPNRUTE-HNNXBMFYSA-N
MW304.82 g/mol
LogP4.36
Rot. Bonds3

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

N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide (PubChem CID 97424397) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
PubChem CID97424397
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C17H21ClN2O/c1-10(2)8-16(21)19-15-5-3-4-12-13-9-11(18)6-7-14(13)20-17(12)15/h6-7,9-10,15,20H,3-5,8H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyXHKNWKLSPNRUTE-HNNXBMFYSA-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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Related Compounds

N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 110205500
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 124879396
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 110204755
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide
CID 97425045
6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332691
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71827376
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7074070
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride
CID 11474671

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide?
The IUPAC name of N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide (CID 97424397) is N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide?
The canonical SMILES for N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide?
The InChIKey is XHKNWKLSPNRUTE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-10(2)8-16(21)19-15-5-3-4-12-13-9-11(18)6-7-14(13)20-17(12)15/h6-7,9-10,15,20H,3-5,8H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide?
N-[(1S)-6-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-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide is sourced from PubChem (CID 97424397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).