N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide

C16H21F3N2O2 — CID 113061483

IUPACN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O2/c1-3-4-5-15(23)20-10-11-21(12(2)22)14-8-6-13(7-9-14)16(17,18)19/h6-9H,3-5,10-11H2,1-2H3,(H,20,23)
InChIKeyMLKZUIFDJZQABC-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.36
Rot. Bonds7

About N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide

N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide (PubChem CID 113061483) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
PubChem CID113061483
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O2/c1-3-4-5-15(23)20-10-11-21(12(2)22)14-8-6-13(7-9-14)16(17,18)19/h6-9H,3-5,10-11H2,1-2H3,(H,20,23)
InChIKeyMLKZUIFDJZQABC-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide
CID 113064309
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130514
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061363
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
CID 113062939
N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113061531
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide?
The IUPAC name of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide (CID 113061483) is N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide?
The canonical SMILES for N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide is CCCCC(=O)NCCN(C(C)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide?
The InChIKey is MLKZUIFDJZQABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-3-4-5-15(23)20-10-11-21(12(2)22)14-8-6-13(7-9-14)16(17,18)19/h6-9H,3-5,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide?
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide has a molecular weight of 330.35 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide is sourced from PubChem (CID 113061483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).