4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride

C14H19ClF2N2O3 — CID 120936327

IUPAC4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
SMILESCOc1cc(F)c(NC(=O)C2(CN)CCOCC2)cc1F.Cl
InChIInChI=1S/C14H18F2N2O3.ClH/c1-20-12-7-9(15)11(6-10(12)16)18-13(19)14(8-17)2-4-21-5-3-14;/h6-7H,2-5,8,17H2,1H3,(H,18,19);1H
InChIKeyVZLPCIPFSLGVNJ-UHFFFAOYSA-N
MW336.77 g/mol
LogP2.09
Rot. Bonds4

About 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120936327) has the molecular formula C14H19ClF2N2O3 and a molecular weight of 336.77 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
PubChem CID120936327
Molecular FormulaC14H19ClF2N2O3
Molecular Weight336.77 g/mol
Exact Mass336.11
IUPAC Name4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
SMILESCOc1cc(F)c(NC(=O)C2(CN)CCOCC2)cc1F.Cl
InChIInChI=1S/C14H18F2N2O3.ClH/c1-20-12-7-9(15)11(6-10(12)16)18-13(19)14(8-17)2-4-21-5-3-14;/h6-7H,2-5,8,17H2,1H3,(H,18,19);1H
InChIKeyVZLPCIPFSLGVNJ-UHFFFAOYSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide
CID 120940433
4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120917475
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
4-(aminomethyl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxane-4-carboxamide;hydrochloride
CID 120925239
3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119340315
4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride
CID 120921031
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride (CID 120936327) is 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride is COc1cc(F)c(NC(=O)C2(CN)CCOCC2)cc1F.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is VZLPCIPFSLGVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3.ClH/c1-20-12-7-9(15)11(6-10(12)16)18-13(19)14(8-17)2-4-21-5-3-14;/h6-7H,2-5,8,17H2,1H3,(H,18,19);1H.
What are the key properties of 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 336.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).