3-[(3,5-difluoroanilino)methyl]benzamide

C14H12F2N2O — CID 28584265

IUPAC3-[(3,5-difluoroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H12F2N2O/c15-11-5-12(16)7-13(6-11)18-8-9-2-1-3-10(4-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyNDXRSEHKQDFMOJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.68
Rot. Bonds4

About 3-[(3,5-difluoroanilino)methyl]benzamide

3-[(3,5-difluoroanilino)methyl]benzamide (PubChem CID 28584265) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[(3,5-difluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-difluoroanilino)methyl]benzamide
PubChem CID28584265
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-[(3,5-difluoroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H12F2N2O/c15-11-5-12(16)7-13(6-11)18-8-9-2-1-3-10(4-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyNDXRSEHKQDFMOJ-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040
3-[(2-amino-5-fluoroanilino)methyl]benzamide
CID 123298867
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoroanilino)methyl]benzamide?
The IUPAC name of 3-[(3,5-difluoroanilino)methyl]benzamide (CID 28584265) is 3-[(3,5-difluoroanilino)methyl]benzamide.
What is the SMILES notation for 3-[(3,5-difluoroanilino)methyl]benzamide?
The canonical SMILES for 3-[(3,5-difluoroanilino)methyl]benzamide is NC(=O)c1cccc(CNc2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-[(3,5-difluoroanilino)methyl]benzamide?
The InChIKey is NDXRSEHKQDFMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-5-12(16)7-13(6-11)18-8-9-2-1-3-10(4-9)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 3-[(3,5-difluoroanilino)methyl]benzamide?
3-[(3,5-difluoroanilino)methyl]benzamide has a molecular weight of 262.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoroanilino)methyl]benzamide is sourced from PubChem (CID 28584265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).