[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone

C22H22ClNO — CID 4319147

IUPAC[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
SMILESO=C(c1cn(Cc2ccccc2Cl)c2ccccc12)C1CCCCC1
InChIInChI=1S/C22H22ClNO/c23-20-12-6-4-10-17(20)14-24-15-19(18-11-5-7-13-21(18)24)22(25)16-8-2-1-3-9-16/h4-7,10-13,15-16H,1-3,8-9,14H2
InChIKeyKWVPQTQDUIIBTJ-UHFFFAOYSA-N
MW351.88 g/mol
LogP6.11
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone

[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone (PubChem CID 4319147) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
PubChem CID4319147
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
SMILESO=C(c1cn(Cc2ccccc2Cl)c2ccccc12)C1CCCCC1
InChIInChI=1S/C22H22ClNO/c23-20-12-6-4-10-17(20)14-24-15-19(18-11-5-7-13-21(18)24)22(25)16-8-2-1-3-9-16/h4-7,10-13,15-16H,1-3,8-9,14H2
InChIKeyKWVPQTQDUIIBTJ-UHFFFAOYSA-N
XLogP6.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide
CID 3815703
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide
CID 71024492
2-(3-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751384
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4114472
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20899818
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone (CID 4319147) is [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone is O=C(c1cn(Cc2ccccc2Cl)c2ccccc12)C1CCCCC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone?
The InChIKey is KWVPQTQDUIIBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO/c23-20-12-6-4-10-17(20)14-24-15-19(18-11-5-7-13-21(18)24)22(25)16-8-2-1-3-9-16/h4-7,10-13,15-16H,1-3,8-9,14H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone?
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone has a molecular weight of 351.88 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone is sourced from PubChem (CID 4319147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).