N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide

C22H17ClN2O — CID 46334596

IUPACN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C22H17ClN2O/c23-18-8-11-20-17(13-18)14-21(25-20)16-6-9-19(10-7-16)24-22(26)12-15-4-2-1-3-5-15/h1-11,13-14,25H,12H2,(H,24,26)
InChIKeyWRWOQQSIMIZTIK-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.67
Rot. Bonds4

About N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide

N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide (PubChem CID 46334596) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
PubChem CID46334596
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C22H17ClN2O/c23-18-8-11-20-17(13-18)14-21(25-20)16-6-9-19(10-7-16)24-22(26)12-15-4-2-1-3-5-15/h1-11,13-14,25H,12H2,(H,24,26)
InChIKeyWRWOQQSIMIZTIK-UHFFFAOYSA-N
XLogP5.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide (CID 46334596) is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is WRWOQQSIMIZTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-18-8-11-20-17(13-18)14-21(25-20)16-6-9-19(10-7-16)24-22(26)12-15-4-2-1-3-5-15/h1-11,13-14,25H,12H2,(H,24,26).
What are the key properties of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide?
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 360.84 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 46334596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).