N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C18H16F5NO2 — CID 4107503

IUPACN-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C18H16F5NO2/c19-15-6-4-12(5-7-15)9-24-16(25)14-3-1-2-13(8-14)10-26-11-18(22,23)17(20)21/h1-8,17H,9-11H2,(H,24,25)
InChIKeySTBFJSCBZBIKPQ-UHFFFAOYSA-N
MW373.32 g/mol
LogP4.17
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 4107503) has the molecular formula C18H16F5NO2 and a molecular weight of 373.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID4107503
Molecular FormulaC18H16F5NO2
Molecular Weight373.32 g/mol
Exact Mass373.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C18H16F5NO2/c19-15-6-4-12(5-7-15)9-24-16(25)14-3-1-2-13(8-14)10-26-11-18(22,23)17(20)21/h1-8,17H,9-11H2,(H,24,25)
InChIKeySTBFJSCBZBIKPQ-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 54.17
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
4-[(2,2,3,3-tetrafluoropropoxy)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2941650
N-cycloheptyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223091
N-cyclohexyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223159
[2-(Benzylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
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
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
N-isopropyl-4-[(2,2,3,3-tetrafluoropropoxy)methyl]benzamide
CID 842473

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 4107503) is N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is O=C(NCc1ccc(F)cc1)c1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is STBFJSCBZBIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5NO2/c19-15-6-4-12(5-7-15)9-24-16(25)14-3-1-2-13(8-14)10-26-11-18(22,23)17(20)21/h1-8,17H,9-11H2,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 373.32 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 4107503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).