2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide

C13H14N2O2 — CID 16782827

IUPAC2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCc1ccco1
InChIInChI=1S/C13H14N2O2/c1-9-4-2-6-11(14)12(9)13(16)15-8-10-5-3-7-17-10/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyCBFURZZKGAOFSP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.10
Rot. Bonds3

About 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide

2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide (PubChem CID 16782827) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
PubChem CID16782827
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCc1ccco1
InChIInChI=1S/C13H14N2O2/c1-9-4-2-6-11(14)12(9)13(16)15-8-10-5-3-7-17-10/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyCBFURZZKGAOFSP-UHFFFAOYSA-N
XLogP2.10
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
2-amino-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368567
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
2-fluoro-N-(furan-2-ylmethyl)-6-hydroxybenzamide
CID 104916403
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide (CID 16782827) is 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide is Cc1cccc(N)c1C(=O)NCc1ccco1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide?
The InChIKey is CBFURZZKGAOFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-4-2-6-11(14)12(9)13(16)15-8-10-5-3-7-17-10/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide?
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide has a molecular weight of 230.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide is sourced from PubChem (CID 16782827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).