4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride

C17H26ClFN2O2 — CID 120593746

IUPAC4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1cccc(F)c1)C1CCCC1.Cl
InChIInChI=1S/C17H25FN2O2.ClH/c1-22-15(11-19)10-16(21)20-17(12-5-2-3-6-12)13-7-4-8-14(18)9-13;/h4,7-9,12,15,17H,2-3,5-6,10-11,19H2,1H3,(H,20,21);1H
InChIKeyHWRVMJBQEFFRGK-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.96
Rot. Bonds7

About 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120593746) has the molecular formula C17H26ClFN2O2 and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
PubChem CID120593746
Molecular FormulaC17H26ClFN2O2
Molecular Weight344.86 g/mol
Exact Mass344.17
IUPAC Name4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1cccc(F)c1)C1CCCC1.Cl
InChIInChI=1S/C17H25FN2O2.ClH/c1-22-15(11-19)10-16(21)20-17(12-5-2-3-6-12)13-7-4-8-14(18)9-13;/h4,7-9,12,15,17H,2-3,5-6,10-11,19H2,1H3,(H,20,21);1H
InChIKeyHWRVMJBQEFFRGK-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
N-[cyclopentyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119810349
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119810351
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 141220125
4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
CID 120591337
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119951249
4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
CID 120590455
1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea
CID 75454718

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride (CID 120593746) is 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(c1cccc(F)c1)C1CCCC1.Cl.
What is the InChIKey of 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is HWRVMJBQEFFRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2.ClH/c1-22-15(11-19)10-16(21)20-17(12-5-2-3-6-12)13-7-4-8-14(18)9-13;/h4,7-9,12,15,17H,2-3,5-6,10-11,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 344.86 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120593746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).