N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide

C22H33BrF3NO — CID 134421058

IUPACN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide
SMILESCCC(CCC(CC)C(C)(C)C)CC(=O)NCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C22H33BrF3NO/c1-6-15(8-10-17(7-2)21(3,4)5)12-20(28)27-14-16-9-11-18(23)13-19(16)22(24,25)26/h9,11,13,15,17H,6-8,10,12,14H2,1-5H3,(H,27,28)
InChIKeyFSKXEWFKYCWXGI-UHFFFAOYSA-N
MW464.41 g/mol
LogP7.35
Rot. Bonds9

About N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide

N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide (PubChem CID 134421058) has the molecular formula C22H33BrF3NO and a molecular weight of 464.41 g/mol. Its IUPAC name is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide.

Molecular Properties

Compound NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide
PubChem CID134421058
Molecular FormulaC22H33BrF3NO
Molecular Weight464.41 g/mol
Exact Mass463.17
IUPAC NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide
SMILESCCC(CCC(CC)C(C)(C)C)CC(=O)NCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C22H33BrF3NO/c1-6-15(8-10-17(7-2)21(3,4)5)12-20(28)27-14-16-9-11-18(23)13-19(16)22(24,25)26/h9,11,13,15,17H,6-8,10,12,14H2,1-5H3,(H,27,28)
InChIKeyFSKXEWFKYCWXGI-UHFFFAOYSA-N
XLogP7.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.41
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide with MolForge

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Related Compounds

3-amino-N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]butanamide
CID 120873823
3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 81079708
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 71967369
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 67195679
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylheptan-1-one
CID 63409821
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 107332749
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide
CID 107333565
3-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119768894
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
[4-bromo-2-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate
CID 156905176
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide?
The IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide (CID 134421058) is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide.
What is the SMILES notation for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide?
The canonical SMILES for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide is CCC(CCC(CC)C(C)(C)C)CC(=O)NCc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide?
The InChIKey is FSKXEWFKYCWXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33BrF3NO/c1-6-15(8-10-17(7-2)21(3,4)5)12-20(28)27-14-16-9-11-18(23)13-19(16)22(24,25)26/h9,11,13,15,17H,6-8,10,12,14H2,1-5H3,(H,27,28).
What are the key properties of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide?
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide has a molecular weight of 464.41 g/mol, XLogP of 7.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,6-diethyl-7,7-dimethyloctanamide is sourced from PubChem (CID 134421058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).