2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide

C35H30ClF3N2O4 — CID 42633597

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C35H30ClF3N2O4/c1-22-29(30-20-28(44-2)16-17-31(30)41(22)34(43)24-8-12-26(36)13-9-24)21-33(42)40-19-18-32(23-6-4-3-5-7-23)45-27-14-10-25(11-15-27)35(37,38)39/h3-17,20,32H,18-19,21H2,1-2H3,(H,40,42)
InChIKeyHVFDVEQIAJQPTD-UHFFFAOYSA-N
MW635.08 g/mol
LogP8.19
Rot. Bonds10

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide (PubChem CID 42633597) has the molecular formula C35H30ClF3N2O4 and a molecular weight of 635.08 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
PubChem CID42633597
Molecular FormulaC35H30ClF3N2O4
Molecular Weight635.08 g/mol
Exact Mass634.18
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C35H30ClF3N2O4/c1-22-29(30-20-28(44-2)16-17-31(30)41(22)34(43)24-8-12-26(36)13-9-24)21-33(42)40-19-18-32(23-6-4-3-5-7-23)45-27-14-10-25(11-15-27)35(37,38)39/h3-17,20,32H,18-19,21H2,1-2H3,(H,40,42)
InChIKeyHVFDVEQIAJQPTD-UHFFFAOYSA-N
XLogP8.19
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.08
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3715
CID 3715
CID 4921
CID 4921
CID 33675
CID 33675
CID 27861
CID 27861
CID 15339
CID 15339
CID 4292
CID 4292
CID 5282183
CID 5282183
CID 3033980
CID 3033980
CID 23675763
CID 23675763
CID 22633
CID 22633
CID 71523527
CID 71523527
CID 16741227
CID 16741227

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide (CID 42633597) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide is COc1ccc2c(c1)c(CC(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The InChIKey is HVFDVEQIAJQPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClF3N2O4/c1-22-29(30-20-28(44-2)16-17-31(30)41(22)34(43)24-8-12-26(36)13-9-24)21-33(42)40-19-18-32(23-6-4-3-5-7-23)45-27-14-10-25(11-15-27)35(37,38)39/h3-17,20,32H,18-19,21H2,1-2H3,(H,40,42).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide has a molecular weight of 635.08 g/mol, XLogP of 8.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 42633597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).