methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide

C15H19F6NO3 — CID 158681446

IUPACmethane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESC.CC(C)NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H15F6NO3.CH4/c1-8(2)21-12(22)10-5-9(23-6-13(15,16)17)3-4-11(10)24-7-14(18,19)20;/h3-5,8H,6-7H2,1-2H3,(H,21,22);1H4
InChIKeyIFEJBRJOJVUFAZ-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.34
Rot. Bonds6

About methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide

methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide (PubChem CID 158681446) has the molecular formula C15H19F6NO3 and a molecular weight of 375.31 g/mol. Its IUPAC name is methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Namemethane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
PubChem CID158681446
Molecular FormulaC15H19F6NO3
Molecular Weight375.31 g/mol
Exact Mass375.13
IUPAC Namemethane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESC.CC(C)NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H15F6NO3.CH4/c1-8(2)21-12(22)10-5-9(23-6-13(15,16)17)3-4-11(10)24-7-14(18,19)20;/h3-5,8H,6-7H2,1-2H3,(H,21,22);1H4
InChIKeyIFEJBRJOJVUFAZ-UHFFFAOYSA-N
XLogP4.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 21447146
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3782425
3-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119177343
1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2-chloroethanone
CID 12050208
N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide
CID 1491489
N-(2-benzamidoethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3657845
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342
2,2,2-trifluoroethyl 2-(2,2-difluoropropoxy)-5-(2,2,2-trifluoroethoxy)benzoate
CID 143388362
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 166624623
acetic acid;N-[[(2R)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 73416119
N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrobromide
CID 11705938
N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3816337

Frequently Asked Questions

What is the IUPAC name of methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CID 158681446) is methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide is C.CC(C)NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is IFEJBRJOJVUFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO3.CH4/c1-8(2)21-12(22)10-5-9(23-6-13(15,16)17)3-4-11(10)24-7-14(18,19)20;/h3-5,8H,6-7H2,1-2H3,(H,21,22);1H4.
What are the key properties of methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 375.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 158681446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).