(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride

C14H21ClFN3O2 — CID 119266584

IUPAC(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H20FN3O2.ClH/c1-3-18(14(20)10(2)16)9-13(19)17-8-11-4-6-12(15)7-5-11;/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,19);1H/t10-;/m0./s1
InChIKeyIFXNZLMXAFSWCA-PPHPATTJSA-N
MW317.79 g/mol
LogP1.06
Rot. Bonds6

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

(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride (PubChem CID 119266584) has the molecular formula C14H21ClFN3O2 and a molecular weight of 317.79 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
PubChem CID119266584
Molecular FormulaC14H21ClFN3O2
Molecular Weight317.79 g/mol
Exact Mass317.13
IUPAC Name(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H20FN3O2.ClH/c1-3-18(14(20)10(2)16)9-13(19)17-8-11-4-6-12(15)7-5-11;/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,19);1H/t10-;/m0./s1
InChIKeyIFXNZLMXAFSWCA-PPHPATTJSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119291044
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pentanamide;hydrochloride
CID 119266596
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride (CID 119266584) is (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride?
The InChIKey is IFXNZLMXAFSWCA-PPHPATTJSA-N. The full InChI is InChI=1S/C14H20FN3O2.ClH/c1-3-18(14(20)10(2)16)9-13(19)17-8-11-4-6-12(15)7-5-11;/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,19);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride?
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride has a molecular weight of 317.79 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride is sourced from PubChem (CID 119266584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).