3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide

C15H14F2N2O — CID 63793552

IUPAC3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
SMILESNCc1cccc(C(=O)NCc2cc(F)ccc2F)c1
InChIInChI=1S/C15H14F2N2O/c16-13-4-5-14(17)12(7-13)9-19-15(20)11-3-1-2-10(6-11)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyXQOSEOVSUKOEHJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.35
Rot. Bonds4

About 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide

3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide (PubChem CID 63793552) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
PubChem CID63793552
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
SMILESNCc1cccc(C(=O)NCc2cc(F)ccc2F)c1
InChIInChI=1S/C15H14F2N2O/c16-13-4-5-14(17)12(7-13)9-19-15(20)11-3-1-2-10(6-11)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyXQOSEOVSUKOEHJ-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793376
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
3-[[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111901758
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
4-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512
N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
CID 63791568
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide (CID 63793552) is 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide is NCc1cccc(C(=O)NCc2cc(F)ccc2F)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide?
The InChIKey is XQOSEOVSUKOEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-13-4-5-14(17)12(7-13)9-19-15(20)11-3-1-2-10(6-11)8-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide?
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide has a molecular weight of 276.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 63793552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).