3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide

C15H15FN2O — CID 18070244

IUPAC3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
SMILESNCc1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C15H15FN2O/c16-14-7-2-1-5-13(14)10-18-15(19)12-6-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyVSIRSHYXMLYXCU-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.21
Rot. Bonds4

About 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide

3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 18070244) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID18070244
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
SMILESNCc1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C15H15FN2O/c16-14-7-2-1-5-13(14)10-18-15(19)12-6-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyVSIRSHYXMLYXCU-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91434682
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide
CID 115161199
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide (CID 18070244) is 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide is NCc1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is VSIRSHYXMLYXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-7-2-1-5-13(14)10-18-15(19)12-6-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide?
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.21, 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-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 18070244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).