2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride

C16H25ClFN3O2 — CID 119291044

IUPAC2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(N)C(C)C.Cl
InChIInChI=1S/C16H24FN3O2.ClH/c1-4-20(16(22)15(18)11(2)3)10-14(21)19-9-12-5-7-13(17)8-6-12;/h5-8,11,15H,4,9-10,18H2,1-3H3,(H,19,21);1H
InChIKeyNYHQXPGUXFXOHM-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.70
Rot. Bonds7

About 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride

2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride (PubChem CID 119291044) has the molecular formula C16H25ClFN3O2 and a molecular weight of 345.85 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
PubChem CID119291044
Molecular FormulaC16H25ClFN3O2
Molecular Weight345.85 g/mol
Exact Mass345.16
IUPAC Name2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(N)C(C)C.Cl
InChIInChI=1S/C16H24FN3O2.ClH/c1-4-20(16(22)15(18)11(2)3)10-14(21)19-9-12-5-7-13(17)8-6-12;/h5-8,11,15H,4,9-10,18H2,1-3H3,(H,19,21);1H
InChIKeyNYHQXPGUXFXOHM-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pentanamide;hydrochloride
CID 119266596
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 119291047
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 55943462
2-(2-aminoethyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617230
2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302621
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride (CID 119291044) is 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(N)C(C)C.Cl.
What is the InChIKey of 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride?
The InChIKey is NYHQXPGUXFXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2.ClH/c1-4-20(16(22)15(18)11(2)3)10-14(21)19-9-12-5-7-13(17)8-6-12;/h5-8,11,15H,4,9-10,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride?
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119291044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).