N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide

C17H19FN2O — CID 62516506

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2ccc(CN)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-12-3-8-16(18)15(9-12)17(21)20(2)11-14-6-4-13(10-19)5-7-14/h3-9H,10-11,19H2,1-2H3
InChIKeyLWPPHXFKDKNMTH-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.87
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide

N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide (PubChem CID 62516506) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
PubChem CID62516506
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2ccc(CN)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-12-3-8-16(18)15(9-12)17(21)20(2)11-14-6-4-13(10-19)5-7-14/h3-9H,10-11,19H2,1-2H3
InChIKeyLWPPHXFKDKNMTH-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024225
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide (CID 62516506) is N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide is Cc1ccc(F)c(C(=O)N(C)Cc2ccc(CN)cc2)c1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide?
The InChIKey is LWPPHXFKDKNMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-3-8-16(18)15(9-12)17(21)20(2)11-14-6-4-13(10-19)5-7-14/h3-9H,10-11,19H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide is sourced from PubChem (CID 62516506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).