2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide

C15H16FN3O — CID 63673130

IUPAC2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
SMILESNCc1ccccc1CNc1ccc(F)cc1C(N)=O
InChIInChI=1S/C15H16FN3O/c16-12-5-6-14(13(7-12)15(18)20)19-9-11-4-2-1-3-10(11)8-17/h1-7,19H,8-9,17H2,(H2,18,20)
InChIKeyOZZXUVIXGYBIJM-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.00
Rot. Bonds5

About 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide

2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide (PubChem CID 63673130) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
PubChem CID63673130
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
SMILESNCc1ccccc1CNc1ccc(F)cc1C(N)=O
InChIInChI=1S/C15H16FN3O/c16-12-5-6-14(13(7-12)15(18)20)19-9-11-4-2-1-3-10(11)8-17/h1-7,19H,8-9,17H2,(H2,18,20)
InChIKeyOZZXUVIXGYBIJM-UHFFFAOYSA-N
XLogP2.00
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropylamino)-5-fluorobenzamide
CID 63674481
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide
CID 79523714
2-(aminomethyl)-4-fluorobenzamide
CID 174538436
2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
CID 81317663
2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide
CID 63673977
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid
CID 114324590
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide?
The IUPAC name of 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide (CID 63673130) is 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide.
What is the SMILES notation for 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide?
The canonical SMILES for 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide is NCc1ccccc1CNc1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide?
The InChIKey is OZZXUVIXGYBIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-12-5-6-14(13(7-12)15(18)20)19-9-11-4-2-1-3-10(11)8-17/h1-7,19H,8-9,17H2,(H2,18,20).
What are the key properties of 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide?
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide is sourced from PubChem (CID 63673130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).