N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide

C25H20BrClN2O3 — CID 166450304

IUPACN-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(Br)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H20BrClN2O3/c1-15-21(14-24(30)28-19-9-5-17(26)6-10-19)22-13-20(32-2)11-12-23(22)29(15)25(31)16-3-7-18(27)8-4-16/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyLJHGTVRXHRNHGR-UHFFFAOYSA-N
MW511.80 g/mol
LogP6.24
Rot. Bonds5

About N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide

N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide (PubChem CID 166450304) has the molecular formula C25H20BrClN2O3 and a molecular weight of 511.80 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
PubChem CID166450304
Molecular FormulaC25H20BrClN2O3
Molecular Weight511.80 g/mol
Exact Mass510.03
IUPAC NameN-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(Br)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H20BrClN2O3/c1-15-21(14-24(30)28-19-9-5-17(26)6-10-19)22-13-20(32-2)11-12-23(22)29(15)25(31)16-3-7-18(27)8-4-16/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyLJHGTVRXHRNHGR-UHFFFAOYSA-N
XLogP6.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.80
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide (CID 166450304) is N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide is COc1ccc2c(c1)c(CC(=O)Nc1ccc(Br)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The InChIKey is LJHGTVRXHRNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrClN2O3/c1-15-21(14-24(30)28-19-9-5-17(26)6-10-19)22-13-20(32-2)11-12-23(22)29(15)25(31)16-3-7-18(27)8-4-16/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide has a molecular weight of 511.80 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide is sourced from PubChem (CID 166450304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).