N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C18H17F4NO2 — CID 19578673

IUPACN-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C18H17F4NO2/c19-17(20)18(21,22)12-25-11-14-7-4-8-15(9-14)16(24)23-10-13-5-2-1-3-6-13/h1-9,17H,10-12H2,(H,23,24)
InChIKeyLAZHMBWUIFVIDD-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.03
Rot. Bonds8

About N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 19578673) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID19578673
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC NameN-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C18H17F4NO2/c19-17(20)18(21,22)12-25-11-14-7-4-8-15(9-14)16(24)23-10-13-5-2-1-3-6-13/h1-9,17H,10-12H2,(H,23,24)
InChIKeyLAZHMBWUIFVIDD-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
N-isopropyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 891620
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CID 2941650
N-cycloheptyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223091
N-cyclohexyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223159
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CID 4193806
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide
CID 57403173
ethyl (2E)-2-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methylidene]butanoate
CID 127040586
N-benzhydryl-3-(methoxymethyl)benzamide
CID 7603142
N-propyl-3-[(2,2,3,3-tetrafluoropropoxy)methyl]benzamide
CID 1765609
2-[(4-Fluorobenzoyl)amino]ethyl 4-fluorobenzoate
CID 22310468

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 19578673) is N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is O=C(NCc1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is LAZHMBWUIFVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c19-17(20)18(21,22)12-25-11-14-7-4-8-15(9-14)16(24)23-10-13-5-2-1-3-6-13/h1-9,17H,10-12H2,(H,23,24).
What are the key properties of N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 355.33 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 19578673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).