N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide

C15H14F2N2O — CID 82814854

IUPACN-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2ccccc2N)c1F
InChIInChI=1S/C15H14F2N2O/c1-9-6-7-11(16)13(14(9)17)15(20)19-8-10-4-2-3-5-12(10)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyZTRWDKGUIVYMLO-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.79
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide

N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide (PubChem CID 82814854) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
PubChem CID82814854
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2ccccc2N)c1F
InChIInChI=1S/C15H14F2N2O/c1-9-6-7-11(16)13(14(9)17)15(20)19-8-10-4-2-3-5-12(10)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyZTRWDKGUIVYMLO-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 82815708
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
2-amino-6-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 81421054
2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82816611
2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
CID 82815562
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
N-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide (CID 82814854) is N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCc2ccccc2N)c1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is ZTRWDKGUIVYMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9-6-7-11(16)13(14(9)17)15(20)19-8-10-4-2-3-5-12(10)18/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide?
N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 276.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82814854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).