3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride

C20H24ClFN2O — CID 119951249

IUPAC3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NC(c1ccc(F)cc1)C1CCC1)c1ccccc1
InChIInChI=1S/C20H23FN2O.ClH/c21-17-11-9-16(10-12-17)20(15-7-4-8-15)23-19(24)13-18(22)14-5-2-1-3-6-14;/h1-3,5-6,9-12,15,18,20H,4,7-8,13,22H2,(H,23,24);1H
InChIKeyMYFBKKJCLGWYQY-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.30
Rot. Bonds6

About 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951249) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119951249
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC Name3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NC(c1ccc(F)cc1)C1CCC1)c1ccccc1
InChIInChI=1S/C20H23FN2O.ClH/c21-17-11-9-16(10-12-17)20(15-7-4-8-15)23-19(24)13-18(22)14-5-2-1-3-6-14;/h1-3,5-6,9-12,15,18,20H,4,7-8,13,22H2,(H,23,24);1H
InChIKeyMYFBKKJCLGWYQY-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
N-[cyclobutyl(phenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538084
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548
(3S)-3-acetamido-N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951550

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride (CID 119951249) is 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NC(c1ccc(F)cc1)C1CCC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is MYFBKKJCLGWYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.ClH/c21-17-11-9-16(10-12-17)20(15-7-4-8-15)23-19(24)13-18(22)14-5-2-1-3-6-14;/h1-3,5-6,9-12,15,18,20H,4,7-8,13,22H2,(H,23,24);1H.
What are the key properties of 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).