4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride

C16H23ClF2N2O3 — CID 120926918

IUPAC4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCC(COc1ccc(F)cc1F)NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-11(9-23-14-3-2-12(17)8-13(14)18)20-15(21)16(10-19)4-6-22-7-5-16;/h2-3,8,11H,4-7,9-10,19H2,1H3,(H,20,21);1H
InChIKeyFAVQLIMHVZKDCD-UHFFFAOYSA-N
MW364.82 g/mol
LogP2.03
Rot. Bonds6

About 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride (PubChem CID 120926918) has the molecular formula C16H23ClF2N2O3 and a molecular weight of 364.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
PubChem CID120926918
Molecular FormulaC16H23ClF2N2O3
Molecular Weight364.82 g/mol
Exact Mass364.14
IUPAC Name4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCC(COc1ccc(F)cc1F)NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-11(9-23-14-3-2-12(17)8-13(14)18)20-15(21)16(10-19)4-6-22-7-5-16;/h2-3,8,11H,4-7,9-10,19H2,1H3,(H,20,21);1H
InChIKeyFAVQLIMHVZKDCD-UHFFFAOYSA-N
XLogP2.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120927353
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)propyl]oxane-4-carboxamide
CID 120934203
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438438
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
CID 132766427

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride (CID 120926918) is 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride is CC(COc1ccc(F)cc1F)NC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The InChIKey is FAVQLIMHVZKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3.ClH/c1-11(9-23-14-3-2-12(17)8-13(14)18)20-15(21)16(10-19)4-6-22-7-5-16;/h2-3,8,11H,4-7,9-10,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride has a molecular weight of 364.82 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120926918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).