(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone

C20H20ClNO — CID 170857303

IUPAC(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
SMILESCCCC(C)n1cc(C(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C20H20ClNO/c1-3-7-14(2)22-13-18(17-10-4-5-11-19(17)22)20(23)15-8-6-9-16(21)12-15/h4-6,8-14H,3,7H2,1-2H3
InChIKeyYCZOEIQCGOMPGM-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.89
Rot. Bonds5

About (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone

(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone (PubChem CID 170857303) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
PubChem CID170857303
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
SMILESCCCC(C)n1cc(C(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C20H20ClNO/c1-3-7-14(2)22-13-18(17-10-4-5-11-19(17)22)20(23)15-8-6-9-16(21)12-15/h4-6,8-14H,3,7H2,1-2H3
InChIKeyYCZOEIQCGOMPGM-UHFFFAOYSA-N
XLogP5.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone
CID 70526670
(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
CID 170857227
(2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone
CID 170857329
(3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone
CID 132539687
(3-iodophenyl)-[1-(3-methylbutyl)indol-3-yl]methanone
CID 170857321
(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 170857242
1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid
CID 143765121
[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 132989243
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
CID 116917320
(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
CID 101047208

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone (CID 170857303) is (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone is CCCC(C)n1cc(C(=O)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone?
The InChIKey is YCZOEIQCGOMPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c1-3-7-14(2)22-13-18(17-10-4-5-11-19(17)22)20(23)15-8-6-9-16(21)12-15/h4-6,8-14H,3,7H2,1-2H3.
What are the key properties of (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone?
(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone has a molecular weight of 325.84 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone is sourced from PubChem (CID 170857303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).