2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide

C14H17F4NO — CID 103732461

IUPAC2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C14H17F4NO/c1-3-8-19(13(20)14(17,18)12(15)16)9-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKeyYEQCHHXNJKEKIA-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.63
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide

2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide (PubChem CID 103732461) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide
PubChem CID103732461
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C14H17F4NO/c1-3-8-19(13(20)14(17,18)12(15)16)9-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKeyYEQCHHXNJKEKIA-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 115432024
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869423
N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide
CID 103732620
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide
CID 103731962
2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 103602434
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]propanoic acid
CID 122120137
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
(4-hydroxyphenyl)methyl-propylcarbamic acid
CID 69013096

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide (CID 103732461) is 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide is CCCN(Cc1ccc(C)cc1)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide?
The InChIKey is YEQCHHXNJKEKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-3-8-19(13(20)14(17,18)12(15)16)9-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide?
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide has a molecular weight of 291.29 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide is sourced from PubChem (CID 103732461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).