N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide

C16H16F2N2O — CID 60922987

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1CN)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-20(10-13-5-3-2-4-12(13)9-19)16(21)11-6-7-14(17)15(18)8-11/h2-8H,9-10,19H2,1H3
InChIKeyRARZJSYQVJWSIS-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.70
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide

N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide (PubChem CID 60922987) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
PubChem CID60922987
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1CN)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-20(10-13-5-3-2-4-12(13)9-19)16(21)11-6-7-14(17)15(18)8-11/h2-8H,9-10,19H2,1H3
InChIKeyRARZJSYQVJWSIS-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
CID 60922714
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
CID 43549697
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
CID 54939111
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 55729757
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721274
3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61116652

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide (CID 60922987) is N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide is CN(Cc1ccccc1CN)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide?
The InChIKey is RARZJSYQVJWSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-20(10-13-5-3-2-4-12(13)9-19)16(21)11-6-7-14(17)15(18)8-11/h2-8H,9-10,19H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 60922987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).