2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide

C16H14F4N2O2 — CID 87542425

IUPAC2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C16H14F4N2O2/c17-15(18)16(19,20)24-11-7-5-10(6-8-11)9-22-14(23)12-3-1-2-4-13(12)21/h1-8,15H,9,21H2,(H,22,23)
InChIKeyYHOAYXCHMOFZRD-UHFFFAOYSA-N
MW342.29 g/mol
LogP3.44
Rot. Bonds6

About 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide

2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide (PubChem CID 87542425) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide
PubChem CID87542425
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C16H14F4N2O2/c17-15(18)16(19,20)24-11-7-5-10(6-8-11)9-22-14(23)12-3-1-2-4-13(12)21/h1-8,15H,9,21H2,(H,22,23)
InChIKeyYHOAYXCHMOFZRD-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
CID 119946524
2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
CID 108867707
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 18165007
N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 135091161
2-amino-N-[[4-(diethylaminosulfanyl)phenyl]methyl]benzamide
CID 174280143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide (CID 87542425) is 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide is Nc1ccccc1C(=O)NCc1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is YHOAYXCHMOFZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c17-15(18)16(19,20)24-11-7-5-10(6-8-11)9-22-14(23)12-3-1-2-4-13(12)21/h1-8,15H,9,21H2,(H,22,23).
What are the key properties of 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide?
2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 342.29 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 87542425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).