1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide

C24H25F2N3O2 — CID 123356152

IUPAC1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide
SMILESCc1cn(-c2cccc(N3CC(C(=O)NC4COC4)C3)c2)c2ccc(C(C)(F)F)cc12
InChIInChI=1S/C24H25F2N3O2/c1-15-10-29(22-7-6-17(8-21(15)22)24(2,25)26)20-5-3-4-19(9-20)28-11-16(12-28)23(30)27-18-13-31-14-18/h3-10,16,18H,11-14H2,1-2H3,(H,27,30)
InChIKeyJZZLGFHRABXXDE-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.00
Rot. Bonds5

About 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide

1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide (PubChem CID 123356152) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide
PubChem CID123356152
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC Name1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide
SMILESCc1cn(-c2cccc(N3CC(C(=O)NC4COC4)C3)c2)c2ccc(C(C)(F)F)cc12
InChIInChI=1S/C24H25F2N3O2/c1-15-10-29(22-7-6-17(8-21(15)22)24(2,25)26)20-5-3-4-19(9-20)28-11-16(12-28)23(30)27-18-13-31-14-18/h3-10,16,18H,11-14H2,1-2H3,(H,27,30)
InChIKeyJZZLGFHRABXXDE-UHFFFAOYSA-N
XLogP4.00
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
CID 118325422
N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
CID 118325083
N,N-dimethyl-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
CID 118325013
N-(3-methoxypropyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
CID 118325276
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
1-[3-[3-(cyclobutylmethyl)-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylic acid
CID 118325327
methyl 1-[3-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]azetidine-3-carboxylate
CID 126645049
methyl 1-[3-[2-ethyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]phenyl]azetidine-3-carboxylate
CID 126645186
1-[3-(3-tert-butylphenyl)phenyl]azetidine-3-carboxylic acid
CID 118325076

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide?
The IUPAC name of 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide (CID 123356152) is 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide is Cc1cn(-c2cccc(N3CC(C(=O)NC4COC4)C3)c2)c2ccc(C(C)(F)F)cc12.
What is the InChIKey of 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide?
The InChIKey is JZZLGFHRABXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2/c1-15-10-29(22-7-6-17(8-21(15)22)24(2,25)26)20-5-3-4-19(9-20)28-11-16(12-28)23(30)27-18-13-31-14-18/h3-10,16,18H,11-14H2,1-2H3,(H,27,30).
What are the key properties of 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide?
1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(1,1-difluoroethyl)-3-methylindol-1-yl]phenyl]-N-(oxetan-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 123356152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).