N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide

C15H13F9N2O4 — CID 3782425

IUPACN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C15H13F9N2O4/c16-13(17,18)6-29-8-1-2-10(30-7-14(19,20)21)9(5-8)11(27)25-3-4-26-12(28)15(22,23)24/h1-2,5H,3-4,6-7H2,(H,25,27)(H,26,28)
InChIKeyAVWBVEDPZAMCGR-UHFFFAOYSA-N
MW456.26 g/mol
LogP2.98
Rot. Bonds8

About N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide

N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide (PubChem CID 3782425) has the molecular formula C15H13F9N2O4 and a molecular weight of 456.26 g/mol. Its IUPAC name is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
PubChem CID3782425
Molecular FormulaC15H13F9N2O4
Molecular Weight456.26 g/mol
Exact Mass456.07
IUPAC NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C15H13F9N2O4/c16-13(17,18)6-29-8-1-2-10(30-7-14(19,20)21)9(5-8)11(27)25-3-4-26-12(28)15(22,23)24/h1-2,5H,3-4,6-7H2,(H,25,27)(H,26,28)
InChIKeyAVWBVEDPZAMCGR-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzamidoethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3657845
3-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119177343
methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 158681446
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-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrobromide
CID 11705938
acetic acid;N-[[(2R)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 73416119
N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3816337
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
5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055940
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 166624623

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CID 3782425) is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide is O=C(NCCNC(=O)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is AVWBVEDPZAMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F9N2O4/c16-13(17,18)6-29-8-1-2-10(30-7-14(19,20)21)9(5-8)11(27)25-3-4-26-12(28)15(22,23)24/h1-2,5H,3-4,6-7H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 456.26 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 3782425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).