N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide

C23H22ClN3O — CID 97425045

IUPACN-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C23H22ClN3O/c24-15-9-10-20-18(12-15)17-5-3-7-21(23(17)27-20)26-22(28)11-8-14-13-25-19-6-2-1-4-16(14)19/h1-2,4,6,9-10,12-13,21,25,27H,3,5,7-8,11H2,(H,26,28)/t21-/m1/s1
InChIKeyQANXGGYYYIARGY-OAQYLSRUSA-N
MW391.90 g/mol
LogP5.43
Rot. Bonds4

About N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide

N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 97425045) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID97425045
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC NameN-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C23H22ClN3O/c24-15-9-10-20-18(12-15)17-5-3-7-21(23(17)27-20)26-22(28)11-8-14-13-25-19-6-2-1-4-16(14)19/h1-2,4,6,9-10,12-13,21,25,27H,3,5,7-8,11H2,(H,26,28)/t21-/m1/s1
InChIKeyQANXGGYYYIARGY-OAQYLSRUSA-N
XLogP5.43
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.43
H-Bond Donors ≤ 53
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-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 15633401
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 75492025
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 110205202
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(tetrazol-1-yl)benzamide
CID 75490473
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51901379

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide (CID 97425045) is N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is QANXGGYYYIARGY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-15-9-10-20-18(12-15)17-5-3-7-21(23(17)27-20)26-22(28)11-8-14-13-25-19-6-2-1-4-16(14)19/h1-2,4,6,9-10,12-13,21,25,27H,3,5,7-8,11H2,(H,26,28)/t21-/m1/s1.
What are the key properties of N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide?
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 391.90 g/mol, XLogP of 5.43, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 97425045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).