N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide

C16H16F2N2O — CID 60922714

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1CN)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-20(10-12-5-3-2-4-11(12)9-19)16(21)13-6-14(17)8-15(18)7-13/h2-8H,9-10,19H2,1H3
InChIKeyWBABAXHRLFMYAX-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.70
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide

N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide (PubChem CID 60922714) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
PubChem CID60922714
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1CN)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-20(10-12-5-3-2-4-11(12)9-19)16(21)13-6-14(17)8-15(18)7-13/h2-8H,9-10,19H2,1H3
InChIKeyWBABAXHRLFMYAX-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

3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
CID 54939111
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721274
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656
3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61116652
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 65151871

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide (CID 60922714) is N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide is CN(Cc1ccccc1CN)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide?
The InChIKey is WBABAXHRLFMYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-20(10-12-5-3-2-4-11(12)9-19)16(21)13-6-14(17)8-15(18)7-13/h2-8H,9-10,19H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-3,5-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]-3,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 60922714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).