2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide

C13H19FN2O — CID 43084839

IUPAC2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-9(2)16-13(17)10(3)15-8-11-4-6-12(14)7-5-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyCTXXHRRWJLYVQG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.83
Rot. Bonds5

About 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide

2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 43084839) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID43084839
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-9(2)16-13(17)10(3)15-8-11-4-6-12(14)7-5-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyCTXXHRRWJLYVQG-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 115576057
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide (CID 43084839) is 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is CTXXHRRWJLYVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)16-13(17)10(3)15-8-11-4-6-12(14)7-5-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 43084839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).