N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide

C18H21FN2O — CID 112982446

IUPACN-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O/c1-18(2,3)17(22)21-16-10-8-15(9-11-16)20-12-13-4-6-14(19)7-5-13/h4-11,20H,12H2,1-3H3,(H,21,22)
InChIKeyXQKCCTMNXAHXSE-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.42
Rot. Bonds4

About N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide

N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 112982446) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID112982446
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O/c1-18(2,3)17(22)21-16-10-8-15(9-11-16)20-12-13-4-6-14(19)7-5-13/h4-11,20H,12H2,1-3H3,(H,21,22)
InChIKeyXQKCCTMNXAHXSE-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
CID 159222275
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid
CID 103234523
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide (CID 112982446) is N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is XQKCCTMNXAHXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-18(2,3)17(22)21-16-10-8-15(9-11-16)20-12-13-4-6-14(19)7-5-13/h4-11,20H,12H2,1-3H3,(H,21,22).
What are the key properties of N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide?
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112982446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).