4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride

C16H22ClFN2O3 — CID 120936384

IUPAC4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)N[C@@H]2CCOc3c(F)cccc32)CCOCC1
InChIInChI=1S/C16H21FN2O3.ClH/c17-12-3-1-2-11-13(4-7-22-14(11)12)19-15(20)16(10-18)5-8-21-9-6-16;/h1-3,13H,4-10,18H2,(H,19,20);1H/t13-;/m1./s1
InChIKeyYDJMAPMGOXMOAG-BTQNPOSSSA-N
MW344.81 g/mol
LogP1.94
Rot. Bonds3

About 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride (PubChem CID 120936384) has the molecular formula C16H22ClFN2O3 and a molecular weight of 344.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride
PubChem CID120936384
Molecular FormulaC16H22ClFN2O3
Molecular Weight344.81 g/mol
Exact Mass344.13
IUPAC Name4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)N[C@@H]2CCOc3c(F)cccc32)CCOCC1
InChIInChI=1S/C16H21FN2O3.ClH/c17-12-3-1-2-11-13(4-7-22-14(11)12)19-15(20)16(10-18)5-8-21-9-6-16;/h1-3,13H,4-10,18H2,(H,19,20);1H/t13-;/m1./s1
InChIKeyYDJMAPMGOXMOAG-BTQNPOSSSA-N
XLogP1.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride
CID 120930354
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120920314
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride
CID 120933820
(3aS,6aS)-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide
CID 128614510
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
4-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]oxane-4-carboxamide
CID 120930074
4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]butanoic acid
CID 122011176
3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 167845509
1-(3,3-difluorobutyl)-3-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]urea
CID 154760203
5-(difluoromethyl)-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042946
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide
CID 167807370

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride (CID 120936384) is 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)N[C@@H]2CCOc3c(F)cccc32)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride?
The InChIKey is YDJMAPMGOXMOAG-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H21FN2O3.ClH/c17-12-3-1-2-11-13(4-7-22-14(11)12)19-15(20)16(10-18)5-8-21-9-6-16;/h1-3,13H,4-10,18H2,(H,19,20);1H/t13-;/m1./s1.
What are the key properties of 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride has a molecular weight of 344.81 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).