[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone

C24H22ClNO — CID 125181380

IUPAC[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone
SMILESCC[C@H](Cl)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H22ClNO/c1-2-18(25)14-15-26-16-22(20-11-5-6-13-23(20)26)24(27)21-12-7-9-17-8-3-4-10-19(17)21/h3-13,16,18H,2,14-15H2,1H3/t18-/m0/s1
InChIKeyQCNUSOJQZULYQA-SFHVURJKSA-N
MW375.90 g/mol
LogP6.43
Rot. Bonds6

About [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone

[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 125181380) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID125181380
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC Name[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone
SMILESCC[C@H](Cl)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H22ClNO/c1-2-18(25)14-15-26-16-22(20-11-5-6-13-23(20)26)24(27)21-12-7-9-17-8-3-4-10-19(17)21/h3-13,16,18H,2,14-15H2,1H3/t18-/m0/s1
InChIKeyQCNUSOJQZULYQA-SFHVURJKSA-N
XLogP6.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 117065193
[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 132989243
[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 91713112
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
[1-(2,2,3,3,4,4,4-heptadeuteriobutyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 53394763
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480

Frequently Asked Questions

What is the IUPAC name of [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone (CID 125181380) is [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone is CC[C@H](Cl)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is QCNUSOJQZULYQA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22ClNO/c1-2-18(25)14-15-26-16-22(20-11-5-6-13-23(20)26)24(27)21-12-7-9-17-8-3-4-10-19(17)21/h3-13,16,18H,2,14-15H2,1H3/t18-/m0/s1.
What are the key properties of [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone?
[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 375.90 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 125181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).