N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide

C24H27F3N2O — CID 25191231

IUPACN-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide
SMILESCc1cc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C24H27F3N2O/c1-15-12-20-19(16(2)22(15)28-21(30)13-23(3,4)5)10-11-29(20)14-17-6-8-18(9-7-17)24(25,26)27/h6-12H,13-14H2,1-5H3,(H,28,30)
InChIKeyRGWMJZBSAUJOLD-UHFFFAOYSA-N
MW416.49 g/mol
LogP6.70
Rot. Bonds4

About N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide

N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide (PubChem CID 25191231) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide
PubChem CID25191231
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide
SMILESCc1cc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C24H27F3N2O/c1-15-12-20-19(16(2)22(15)28-21(30)13-23(3,4)5)10-11-29(20)14-17-6-8-18(9-7-17)24(25,26)27/h6-12H,13-14H2,1-5H3,(H,28,30)
InChIKeyRGWMJZBSAUJOLD-UHFFFAOYSA-N
XLogP6.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide
CID 44602992
1-[1-[(4-bromophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one
CID 58270960
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
CID 68707179
CID 89204478
CID 89204478
N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide
CID 72721214
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
N-[2,6-dimethyl-4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]phenyl]-3,3-dimethylbutanamide
CID 24937078
N-[6-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
CID 11225166
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
N-[6-chloro-2-[(2R)-2-hydroxypropyl]-1-oxoisoquinolin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 69045634
[4-(3,4-difluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085609
3,3-dimethyl-N-[2-methyl-6-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]phenyl]butanamide
CID 71513515

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide (CID 25191231) is N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide is Cc1cc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c(C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide?
The InChIKey is RGWMJZBSAUJOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O/c1-15-12-20-19(16(2)22(15)28-21(30)13-23(3,4)5)10-11-29(20)14-17-6-8-18(9-7-17)24(25,26)27/h6-12H,13-14H2,1-5H3,(H,28,30).
What are the key properties of N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide?
N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 416.49 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 25191231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).