N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide

C16H17FN2O — CID 62516508

IUPACN-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2ccccc2N)c1
InChIInChI=1S/C16H17FN2O/c1-11-7-8-14(17)13(9-11)16(20)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10,18H2,1-2H3
InChIKeyJAKZPQLZIPYRAV-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.99
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide

N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide (PubChem CID 62516508) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
PubChem CID62516508
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2ccccc2N)c1
InChIInChI=1S/C16H17FN2O/c1-11-7-8-14(17)13(9-11)16(20)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10,18H2,1-2H3
InChIKeyJAKZPQLZIPYRAV-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide (CID 62516508) is N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide is Cc1ccc(F)c(C(=O)N(C)Cc2ccccc2N)c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The InChIKey is JAKZPQLZIPYRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-7-8-14(17)13(9-11)16(20)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide is sourced from PubChem (CID 62516508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).