N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide

C14H21FN2O — CID 43112620

IUPACN,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-17(5-2)14(18)11(3)16-10-12-6-8-13(15)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyRYQWRZVWUYRFCI-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.17
Rot. Bonds6

About N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide

N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide (PubChem CID 43112620) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
PubChem CID43112620
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-17(5-2)14(18)11(3)16-10-12-6-8-13(15)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyRYQWRZVWUYRFCI-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63051555
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 62996918
2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
CID 66473610
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789766

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide (CID 43112620) is N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide is CCN(CC)C(=O)C(C)NCc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide?
The InChIKey is RYQWRZVWUYRFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-17(5-2)14(18)11(3)16-10-12-6-8-13(15)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide?
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide has a molecular weight of 252.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 43112620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).