3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide

C21H18F2N2O — CID 112983258

IUPAC3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H18F2N2O/c22-19-11-6-16(14-20(19)23)21(26)25-18-9-7-17(8-10-18)24-13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,25,26)
InChIKeyUSVZYBKOFRYIRU-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.87
Rot. Bonds6

About 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide

3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide (PubChem CID 112983258) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide
PubChem CID112983258
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC Name3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H18F2N2O/c22-19-11-6-16(14-20(19)23)21(26)25-18-9-7-17(8-10-18)24-13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,25,26)
InChIKeyUSVZYBKOFRYIRU-UHFFFAOYSA-N
XLogP4.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpyridin-1-ium-4-yl)-3,4-difluorobenzamide
CID 162674646
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
CID 56825610
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide (CID 112983258) is 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide is O=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide?
The InChIKey is USVZYBKOFRYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O/c22-19-11-6-16(14-20(19)23)21(26)25-18-9-7-17(8-10-18)24-13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,25,26).
What are the key properties of 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide?
3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide has a molecular weight of 352.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide is sourced from PubChem (CID 112983258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).