3-[[3-(difluoromethyl)phenyl]methylamino]benzamide

C15H14F2N2O — CID 115526018

IUPAC3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2cccc(C(F)F)c2)c1
InChIInChI=1S/C15H14F2N2O/c16-14(17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(8-13)15(18)20/h1-8,14,19H,9H2,(H2,18,20)
InChIKeyJFQHRJAADDHRNO-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.34
Rot. Bonds5

About 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide

3-[[3-(difluoromethyl)phenyl]methylamino]benzamide (PubChem CID 115526018) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
PubChem CID115526018
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2cccc(C(F)F)c2)c1
InChIInChI=1S/C15H14F2N2O/c16-14(17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(8-13)15(18)20/h1-8,14,19H,9H2,(H2,18,20)
InChIKeyJFQHRJAADDHRNO-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
2-chloro-5-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526263
3-[(3-propoxyphenyl)methylamino]benzamide
CID 61016518
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide
CID 71913606
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide?
The IUPAC name of 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide (CID 115526018) is 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide.
What is the SMILES notation for 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide?
The canonical SMILES for 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide is NC(=O)c1cccc(NCc2cccc(C(F)F)c2)c1.
What is the InChIKey of 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide?
The InChIKey is JFQHRJAADDHRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-14(17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(8-13)15(18)20/h1-8,14,19H,9H2,(H2,18,20).
What are the key properties of 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide?
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide has a molecular weight of 276.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethyl)phenyl]methylamino]benzamide is sourced from PubChem (CID 115526018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).