4-(aminomethyl)benzamide

C8H10N2O — CID 2512818

IUPAC4-(aminomethyl)benzamide
SMILESNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C8H10N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyJKIHDSIADUBKPU-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.24
Rot. Bonds2

About 4-(aminomethyl)benzamide

4-(aminomethyl)benzamide (PubChem CID 2512818) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-(aminomethyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)benzamide
PubChem CID2512818
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4-(aminomethyl)benzamide
SMILESNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C8H10N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyJKIHDSIADUBKPU-UHFFFAOYSA-N
XLogP0.24
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzamide?
The IUPAC name of 4-(aminomethyl)benzamide (CID 2512818) is 4-(aminomethyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)benzamide?
The canonical SMILES for 4-(aminomethyl)benzamide is NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(aminomethyl)benzamide?
The InChIKey is JKIHDSIADUBKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H2,10,11).
What are the key properties of 4-(aminomethyl)benzamide?
4-(aminomethyl)benzamide has a molecular weight of 150.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzamide is sourced from PubChem (CID 2512818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).