(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate

C19H18ClNO2 — CID 7541533

IUPAC(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OCc1cccc(Cl)c1
InChIInChI=1S/C19H18ClNO2/c20-16-7-3-5-14(11-16)13-23-19(22)10-4-6-15-12-21-18-9-2-1-8-17(15)18/h1-3,5,7-9,11-12,21H,4,6,10,13H2
InChIKeyFXQBNAHRZAVTAU-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.89
Rot. Bonds6

About (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate

(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate (PubChem CID 7541533) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate
PubChem CID7541533
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OCc1cccc(Cl)c1
InChIInChI=1S/C19H18ClNO2/c20-16-7-3-5-14(11-16)13-23-19(22)10-4-6-15-12-21-18-9-2-1-8-17(15)18/h1-3,5,7-9,11-12,21H,4,6,10,13H2
InChIKeyFXQBNAHRZAVTAU-UHFFFAOYSA-N
XLogP4.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171229
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 19323530
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(1H-indol-3-yl)butanoate
CID 7541687
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 4175915
4-(1H-indol-3-yl)butanamide
CID 588715
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017658
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2434282

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate?
The IUPAC name of (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate (CID 7541533) is (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate is O=C(CCCc1c[nH]c2ccccc12)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate?
The InChIKey is FXQBNAHRZAVTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-16-7-3-5-14(11-16)13-23-19(22)10-4-6-15-12-21-18-9-2-1-8-17(15)18/h1-3,5,7-9,11-12,21H,4,6,10,13H2.
What are the key properties of (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate?
(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate has a molecular weight of 327.81 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 7541533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).