N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride

C24H26ClFN2O2 — CID 120597788

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25FN2O2.ClH/c25-21-7-3-6-20(15-21)24(10-12-29-13-11-24)23(28)27-22(16-26)19-9-8-17-4-1-2-5-18(17)14-19;/h1-9,14-15,22H,10-13,16,26H2,(H,27,28);1H
InChIKeyNIVRIARPMOVWGY-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.27
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120597788) has the molecular formula C24H26ClFN2O2 and a molecular weight of 428.94 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride
PubChem CID120597788
Molecular FormulaC24H26ClFN2O2
Molecular Weight428.94 g/mol
Exact Mass428.17
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25FN2O2.ClH/c25-21-7-3-6-20(15-21)24(10-12-29-13-11-24)23(28)27-22(16-26)19-9-8-17-4-1-2-5-18(17)14-19;/h1-9,14-15,22H,10-13,16,26H2,(H,27,28);1H
InChIKeyNIVRIARPMOVWGY-UHFFFAOYSA-N
XLogP4.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
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4-(aminomethyl)-N-(1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
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4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
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N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
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N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
N-(2-amino-1-naphthalen-2-ylethyl)-1-(2-methoxyethyl)cyclopentane-1-carboxamide
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4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
CID 94669644
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CID 92614078
4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
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N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride (CID 120597788) is N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is NIVRIARPMOVWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2.ClH/c25-21-7-3-6-20(15-21)24(10-12-29-13-11-24)23(28)27-22(16-26)19-9-8-17-4-1-2-5-18(17)14-19;/h1-9,14-15,22H,10-13,16,26H2,(H,27,28);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 428.94 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120597788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).