1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride

C16H22ClFN2O2 — CID 120943827

IUPAC1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-4-1-3-12(7-13)16(5-2-6-16)15(21)19-9-11-8-18-10-14(11)20;/h1,3-4,7,11,14,18,20H,2,5-6,8-10H2,(H,19,21);1H
InChIKeySLHAZZSJYKKYRT-UHFFFAOYSA-N
MW328.81 g/mol
LogP1.37
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride

1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride (PubChem CID 120943827) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride
PubChem CID120943827
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-4-1-3-12(7-13)16(5-2-6-16)15(21)19-9-11-8-18-10-14(11)20;/h1,3-4,7,11,14,18,20H,2,5-6,8-10H2,(H,19,21);1H
InChIKeySLHAZZSJYKKYRT-UHFFFAOYSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide
CID 120946527
1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119555237
1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
CID 55748767
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 120946202
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 120659893
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride (CID 120943827) is 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is SLHAZZSJYKKYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c17-13-4-1-3-12(7-13)16(5-2-6-16)15(21)19-9-11-8-18-10-14(11)20;/h1,3-4,7,11,14,18,20H,2,5-6,8-10H2,(H,19,21);1H.
What are the key properties of 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride?
1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 328.81 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120943827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).