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

C23H20ClF3N2O4 — CID 162401636

IUPACN-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(CC(F)(F)F)C(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O4/c1-13-18(11-21(31)28(14(2)30)12-23(25,26)27)19-10-17(33-3)8-9-20(19)29(13)22(32)15-4-6-16(24)7-5-15/h4-10H,11-12H2,1-3H3
InChIKeyXWUHUIBKAKITOV-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.78
Rot. Bonds5

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

N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 162401636) has the molecular formula C23H20ClF3N2O4 and a molecular weight of 480.87 g/mol. Its IUPAC name is N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID162401636
Molecular FormulaC23H20ClF3N2O4
Molecular Weight480.87 g/mol
Exact Mass480.11
IUPAC NameN-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(CC(F)(F)F)C(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O4/c1-13-18(11-21(31)28(14(2)30)12-23(25,26)27)19-10-17(33-3)8-9-20(19)29(13)22(32)15-4-6-16(24)7-5-15/h4-10H,11-12H2,1-3H3
InChIKeyXWUHUIBKAKITOV-UHFFFAOYSA-N
XLogP4.78
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
azane;bis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);platinum(4+);dichloride
CID 86298531
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 166450376
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 4090966
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 6916018
2-(dimethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 12658356

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 162401636) is N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc2c(c1)c(CC(=O)N(CC(F)(F)F)C(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XWUHUIBKAKITOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O4/c1-13-18(11-21(31)28(14(2)30)12-23(25,26)27)19-10-17(33-3)8-9-20(19)29(13)22(32)15-4-6-16(24)7-5-15/h4-10H,11-12H2,1-3H3.
What are the key properties of N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 480.87 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 162401636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).