N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide

C17H19FN2O — CID 81479696

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc(CN)cc2)c1F
InChIInChI=1S/C17H19FN2O/c1-12-4-3-5-15(16(12)18)17(21)20(2)11-14-8-6-13(10-19)7-9-14/h3-9H,10-11,19H2,1-2H3
InChIKeyBEZQXLAPPOENCP-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.87
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide

N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide (PubChem CID 81479696) 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,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
PubChem CID81479696
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc(CN)cc2)c1F
InChIInChI=1S/C17H19FN2O/c1-12-4-3-5-15(16(12)18)17(21)20(2)11-14-8-6-13(10-19)7-9-14/h3-9H,10-11,19H2,1-2H3
InChIKeyBEZQXLAPPOENCP-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

2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
CID 43401472
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide (CID 81479696) is N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2ccc(CN)cc2)c1F.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide?
The InChIKey is BEZQXLAPPOENCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-4-3-5-15(16(12)18)17(21)20(2)11-14-8-6-13(10-19)7-9-14/h3-9H,10-11,19H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-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,3-dimethylbenzamide is sourced from PubChem (CID 81479696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).