N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide

C25H21ClN2O3 — CID 143840559

IUPACN-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)Nc1ccc(Oc3ccc(CC=O)cc3Cl)cc1)n2C
InChIInChI=1S/C25H21ClN2O3/c1-16-3-9-22-18(13-16)15-23(28(22)2)25(30)27-19-5-7-20(8-6-19)31-24-10-4-17(11-12-29)14-21(24)26/h3-10,12-15H,11H2,1-2H3,(H,27,30)
InChIKeyAUQAFARZOBFGLC-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.93
Rot. Bonds6

About N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide

N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide (PubChem CID 143840559) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide
PubChem CID143840559
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC NameN-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)Nc1ccc(Oc3ccc(CC=O)cc3Cl)cc1)n2C
InChIInChI=1S/C25H21ClN2O3/c1-16-3-9-22-18(13-16)15-23(28(22)2)25(30)27-19-5-7-20(8-6-19)31-24-10-4-17(11-12-29)14-21(24)26/h3-10,12-15H,11H2,1-2H3,(H,27,30)
InChIKeyAUQAFARZOBFGLC-UHFFFAOYSA-N
XLogP5.93
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide?
The IUPAC name of N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide (CID 143840559) is N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide?
The canonical SMILES for N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide is Cc1ccc2c(c1)cc(C(=O)Nc1ccc(Oc3ccc(CC=O)cc3Cl)cc1)n2C.
What is the InChIKey of N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide?
The InChIKey is AUQAFARZOBFGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-16-3-9-22-18(13-16)15-23(28(22)2)25(30)27-19-5-7-20(8-6-19)31-24-10-4-17(11-12-29)14-21(24)26/h3-10,12-15H,11H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide?
N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-4-(2-oxoethyl)phenoxy]phenyl]-1,5-dimethylindole-2-carboxamide is sourced from PubChem (CID 143840559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).