3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride

C12H18ClFN2O — CID 120630206

IUPAC3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
SMILESCCN(C)C(=O)C(CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-3-15(2)12(16)11(8-14)9-4-6-10(13)7-5-9;/h4-7,11H,3,8,14H2,1-2H3;1H
InChIKeyMGYQKDFEZNGSMQ-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride

3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride (PubChem CID 120630206) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
PubChem CID120630206
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
SMILESCCN(C)C(=O)C(CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-3-15(2)12(16)11(8-14)9-4-6-10(13)7-5-9;/h4-7,11H,3,8,14H2,1-2H3;1H
InChIKeyMGYQKDFEZNGSMQ-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
CID 120616335
3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
CID 62876632
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603501
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide
CID 116848885
3-amino-N-ethyl-N-(2-fluorophenyl)-2-phenylpropanamide
CID 62877338
2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide
CID 55016540
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 62878721
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride (CID 120630206) is 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride is CCN(C)C(=O)C(CN)c1ccc(F)cc1.Cl.
What is the InChIKey of 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride?
The InChIKey is MGYQKDFEZNGSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-3-15(2)12(16)11(8-14)9-4-6-10(13)7-5-9;/h4-7,11H,3,8,14H2,1-2H3;1H.
What are the key properties of 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride?
3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 120630206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).