N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide

C17H20ClF3N2O3 — CID 113062144

IUPACN-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCOCC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H20ClF3N2O3/c1-11(24)23(7-6-22-16(25)12-4-8-26-9-5-12)15-10-13(17(19,20)21)2-3-14(15)18/h2-3,10,12H,4-9H2,1H3,(H,22,25)
InChIKeyFICIWTJVVQSFBE-UHFFFAOYSA-N
MW392.81 g/mol
LogP3.25
Rot. Bonds5

About N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide

N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide (PubChem CID 113062144) has the molecular formula C17H20ClF3N2O3 and a molecular weight of 392.81 g/mol. Its IUPAC name is N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide
PubChem CID113062144
Molecular FormulaC17H20ClF3N2O3
Molecular Weight392.81 g/mol
Exact Mass392.11
IUPAC NameN-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCOCC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H20ClF3N2O3/c1-11(24)23(7-6-22-16(25)12-4-8-26-9-5-12)15-10-13(17(19,20)21)2-3-14(15)18/h2-3,10,12H,4-9H2,1H3,(H,22,25)
InChIKeyFICIWTJVVQSFBE-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]-2-ethylbutanamide
CID 113062130
N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide
CID 113071268
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]oxane-4-carboxamide
CID 113060185
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide
CID 113064554
N-[2-(N-acetyl-4-bromoanilino)ethyl]oxane-4-carboxamide
CID 113060376
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 113131659
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
CID 113063202
N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113131653
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
CID 113056620
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide (CID 113062144) is N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide is CC(=O)N(CCNC(=O)C1CCOCC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide?
The InChIKey is FICIWTJVVQSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N2O3/c1-11(24)23(7-6-22-16(25)12-4-8-26-9-5-12)15-10-13(17(19,20)21)2-3-14(15)18/h2-3,10,12H,4-9H2,1H3,(H,22,25).
What are the key properties of N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide?
N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide has a molecular weight of 392.81 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113062144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).