N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide

C24H24F3N3O — CID 118325083

IUPACN-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
SMILESCc1cn(-c2cccc(N3CC(C(=O)NCC4CC4)C3)c2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C24H24F3N3O/c1-15-12-30(22-8-7-18(9-21(15)22)24(25,26)27)20-4-2-3-19(10-20)29-13-17(14-29)23(31)28-11-16-5-6-16/h2-4,7-10,12,16-17H,5-6,11,13-14H2,1H3,(H,28,31)
InChIKeyWCCIRLBSQMADCA-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.92
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide

N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide (PubChem CID 118325083) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
PubChem CID118325083
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC NameN-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
SMILESCc1cn(-c2cccc(N3CC(C(=O)NCC4CC4)C3)c2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C24H24F3N3O/c1-15-12-30(22-8-7-18(9-21(15)22)24(25,26)27)20-4-2-3-19(10-20)29-13-17(14-29)23(31)28-11-16-5-6-16/h2-4,7-10,12,16-17H,5-6,11,13-14H2,1H3,(H,28,31)
InChIKeyWCCIRLBSQMADCA-UHFFFAOYSA-N
XLogP4.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
CID 118325276
N-(4-hydroxybutyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
CID 118325422
N,N-dimethyl-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
CID 118325013
1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide
CID 123356152
1-[3-[3-(cyclobutylmethyl)-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylic acid
CID 118325327
1-[3-[3-ethylsulfonyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylic acid
CID 118325024
1-[3-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylic acid
CID 118331390
1-[3-[3-(oxan-4-ylmethyl)-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylic acid
CID 118325085
1-[1-[3-[3-(2-methylpropyl)-5-(trifluoromethyl)indol-1-yl]phenyl]azetidin-3-yl]ethanone
CID 123677531
[2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate
CID 68574293
methyl 1-[3-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]azetidine-3-carboxylate
CID 126645049
N-(cyclopropylmethyl)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azetidine-3-carboxamide
CID 92634041

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide (CID 118325083) is N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide is Cc1cn(-c2cccc(N3CC(C(=O)NCC4CC4)C3)c2)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide?
The InChIKey is WCCIRLBSQMADCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-15-12-30(22-8-7-18(9-21(15)22)24(25,26)27)20-4-2-3-19(10-20)29-13-17(14-29)23(31)28-11-16-5-6-16/h2-4,7-10,12,16-17H,5-6,11,13-14H2,1H3,(H,28,31).
What are the key properties of N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 118325083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).