N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide

C14H12F2N2O — CID 60893159

IUPACN-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
SMILESNc1ccc(CNC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C14H12F2N2O/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8,17H2,(H,18,19)
InChIKeyOIVLGWYUEFHFEX-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.48
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide

N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide (PubChem CID 60893159) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
PubChem CID60893159
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC NameN-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
SMILESNc1ccc(CNC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C14H12F2N2O/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8,17H2,(H,18,19)
InChIKeyOIVLGWYUEFHFEX-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
N-[[3-(bromomethyl)phenyl]methyl]-2,6-difluorobenzamide
CID 114313059
N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 60891445
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
2,6-difluoro-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 3658873
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
2-bromo-N-[(4-carbamothioylphenyl)methyl]-6-fluorobenzamide
CID 114559257

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide (CID 60893159) is N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide is Nc1ccc(CNC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide?
The InChIKey is OIVLGWYUEFHFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide?
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide has a molecular weight of 262.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 60893159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).