N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide

C15H19F3N2O2 — CID 48524701

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCC(C)C
InChIInChI=1S/C15H19F3N2O2/c1-9(2)4-7-14(22)20-13-8-11(15(16,17)18)5-6-12(13)19-10(3)21/h5-6,8-9H,4,7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyPKURWPFJYKWJFJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.04
Rot. Bonds5

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide

N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide (PubChem CID 48524701) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
PubChem CID48524701
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCC(C)C
InChIInChI=1S/C15H19F3N2O2/c1-9(2)4-7-14(22)20-13-8-11(15(16,17)18)5-6-12(13)19-10(3)21/h5-6,8-9H,4,7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyPKURWPFJYKWJFJ-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 114042936
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119707017
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-(1,3-benzodioxol-5-yl)propanamide
CID 48524539
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylbutyl)propanediamide
CID 108951833
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide (CID 48524701) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCC(C)C.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The InChIKey is PKURWPFJYKWJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9(2)4-7-14(22)20-13-8-11(15(16,17)18)5-6-12(13)19-10(3)21/h5-6,8-9H,4,7H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide has a molecular weight of 316.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 48524701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).