N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide

C20H18ClF3N2O2 — CID 70808394

IUPACN-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCc3cc(Cl)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18ClF3N2O2/c1-12-8-14(10-15(9-12)20(22,23)24)19(28)25-6-4-18(27)26-7-5-13-11-16(21)2-3-17(13)26/h2-3,8-11H,4-7H2,1H3,(H,25,28)
InChIKeyYELSYOHSNDPYBX-UHFFFAOYSA-N
MW410.82 g/mol
LogP4.38
Rot. Bonds4

About N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide

N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70808394) has the molecular formula C20H18ClF3N2O2 and a molecular weight of 410.82 g/mol. Its IUPAC name is N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide
PubChem CID70808394
Molecular FormulaC20H18ClF3N2O2
Molecular Weight410.82 g/mol
Exact Mass410.10
IUPAC NameN-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCc3cc(Cl)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18ClF3N2O2/c1-12-8-14(10-15(9-12)20(22,23)24)19(28)25-6-4-18(27)26-7-5-13-11-16(21)2-3-17(13)26/h2-3,8-11H,4-7H2,1H3,(H,25,28)
InChIKeyYELSYOHSNDPYBX-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
CID 26769862
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide
CID 55803063
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 46535281
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 51130845

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide (CID 70808394) is N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide is Cc1cc(C(=O)NCCC(=O)N2CCc3cc(Cl)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is YELSYOHSNDPYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O2/c1-12-8-14(10-15(9-12)20(22,23)24)19(28)25-6-4-18(27)26-7-5-13-11-16(21)2-3-17(13)26/h2-3,8-11H,4-7H2,1H3,(H,25,28).
What are the key properties of N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide?
N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 410.82 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70808394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).