2-[1-(4-chlorophenyl)indol-3-yl]butanamide

C18H17ClN2O — CID 70534378

IUPAC2-[1-(4-chlorophenyl)indol-3-yl]butanamide
SMILESCCC(C(N)=O)c1cn(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H17ClN2O/c1-2-14(18(20)22)16-11-21(13-9-7-12(19)8-10-13)17-6-4-3-5-15(16)17/h3-11,14H,2H2,1H3,(H2,20,22)
InChIKeyHZQLUGIAUVAVRJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.26
Rot. Bonds4

About 2-[1-(4-chlorophenyl)indol-3-yl]butanamide

2-[1-(4-chlorophenyl)indol-3-yl]butanamide (PubChem CID 70534378) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)indol-3-yl]butanamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)indol-3-yl]butanamide
PubChem CID70534378
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-[1-(4-chlorophenyl)indol-3-yl]butanamide
SMILESCCC(C(N)=O)c1cn(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H17ClN2O/c1-2-14(18(20)22)16-11-21(13-9-7-12(19)8-10-13)17-6-4-3-5-15(16)17/h3-11,14H,2H2,1H3,(H2,20,22)
InChIKeyHZQLUGIAUVAVRJ-UHFFFAOYSA-N
XLogP4.26
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)indol-3-yl]butanamide?
The IUPAC name of 2-[1-(4-chlorophenyl)indol-3-yl]butanamide (CID 70534378) is 2-[1-(4-chlorophenyl)indol-3-yl]butanamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)indol-3-yl]butanamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)indol-3-yl]butanamide is CCC(C(N)=O)c1cn(-c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 2-[1-(4-chlorophenyl)indol-3-yl]butanamide?
The InChIKey is HZQLUGIAUVAVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-2-14(18(20)22)16-11-21(13-9-7-12(19)8-10-13)17-6-4-3-5-15(16)17/h3-11,14H,2H2,1H3,(H2,20,22).
What are the key properties of 2-[1-(4-chlorophenyl)indol-3-yl]butanamide?
2-[1-(4-chlorophenyl)indol-3-yl]butanamide has a molecular weight of 312.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)indol-3-yl]butanamide is sourced from PubChem (CID 70534378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).