N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide

C15H15FN2O — CID 43458159

IUPACN-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O/c1-18(10-11-2-8-14(17)9-3-11)15(19)12-4-6-13(16)7-5-12/h2-9H,10,17H2,1H3
InChIKeyFYLCFRSUWUGRCE-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.68
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide

N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide (PubChem CID 43458159) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
PubChem CID43458159
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O/c1-18(10-11-2-8-14(17)9-3-11)15(19)12-4-6-13(16)7-5-12/h2-9H,10,17H2,1H3
InChIKeyFYLCFRSUWUGRCE-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide (CID 43458159) is N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide is CN(Cc1ccc(N)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide?
The InChIKey is FYLCFRSUWUGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-18(10-11-2-8-14(17)9-3-11)15(19)12-4-6-13(16)7-5-12/h2-9H,10,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide?
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 43458159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).