(4-benzamido-5,5,5-trifluoropentyl) acetate;methane

C15H20F3NO3 — CID 157327798

IUPAC(4-benzamido-5,5,5-trifluoropentyl) acetate;methane
SMILESC.CC(=O)OCCCC(NC(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NO3.CH4/c1-10(19)21-9-5-8-12(14(15,16)17)18-13(20)11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-9H2,1H3,(H,18,20);1H4
InChIKeyBEXYHFUUEZXMJS-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.33
Rot. Bonds6

About (4-benzamido-5,5,5-trifluoropentyl) acetate;methane

(4-benzamido-5,5,5-trifluoropentyl) acetate;methane (PubChem CID 157327798) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is (4-benzamido-5,5,5-trifluoropentyl) acetate;methane.

Molecular Properties

Compound Name(4-benzamido-5,5,5-trifluoropentyl) acetate;methane
PubChem CID157327798
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name(4-benzamido-5,5,5-trifluoropentyl) acetate;methane
SMILESC.CC(=O)OCCCC(NC(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NO3.CH4/c1-10(19)21-9-5-8-12(14(15,16)17)18-13(20)11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-9H2,1H3,(H,18,20);1H4
InChIKeyBEXYHFUUEZXMJS-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzamido-4,4,4-trifluorobutanoic acid
CID 3487458
benzoic acid;butyl acetate
CID 67420594
O-ethyl (1-benzamido-2,2,2-trifluoroethyl)sulfanylmethanethioate
CID 141224381
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl 2-benzamido-3-oxobutanoate
CID 44557436
butyl 2-benzamidopropanoate
CID 14654753
butyl (2S)-2-benzamidopropanoate
CID 14654754
methyl 3-benzamido-4,4,4-trifluoro-2-hydroxybutanoate
CID 12042653
N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide
CID 101120746
3-benzamidobutyl benzoate
CID 151154190
butyl (2S,3R)-2-benzamido-3-hydroxybutanoate
CID 101068173
ethyl (3S)-3-benzamido-2,2-difluoro-3-hydroxypropanoate
CID 2303395
benzamido acetate;ethane
CID 91379738

Frequently Asked Questions

What is the IUPAC name of (4-benzamido-5,5,5-trifluoropentyl) acetate;methane?
The IUPAC name of (4-benzamido-5,5,5-trifluoropentyl) acetate;methane (CID 157327798) is (4-benzamido-5,5,5-trifluoropentyl) acetate;methane.
What is the SMILES notation for (4-benzamido-5,5,5-trifluoropentyl) acetate;methane?
The canonical SMILES for (4-benzamido-5,5,5-trifluoropentyl) acetate;methane is C.CC(=O)OCCCC(NC(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of (4-benzamido-5,5,5-trifluoropentyl) acetate;methane?
The InChIKey is BEXYHFUUEZXMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3.CH4/c1-10(19)21-9-5-8-12(14(15,16)17)18-13(20)11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-9H2,1H3,(H,18,20);1H4.
What are the key properties of (4-benzamido-5,5,5-trifluoropentyl) acetate;methane?
(4-benzamido-5,5,5-trifluoropentyl) acetate;methane has a molecular weight of 319.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamido-5,5,5-trifluoropentyl) acetate;methane is sourced from PubChem (CID 157327798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).