3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C17H24ClFN2O — CID 119775064

IUPAC3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC(c2ccc(F)cc2)C2CCC2)C1
InChIInChI=1S/C17H23FN2O.ClH/c18-14-7-4-12(5-8-14)16(11-2-1-3-11)20-17(21)13-6-9-15(19)10-13;/h4-5,7-8,11,13,15-16H,1-3,6,9-10,19H2,(H,20,21);1H
InChIKeyYABKLGUJOGNQCB-UHFFFAOYSA-N
MW326.84 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119775064) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119775064
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC(c2ccc(F)cc2)C2CCC2)C1
InChIInChI=1S/C17H23FN2O.ClH/c18-14-7-4-12(5-8-14)16(11-2-1-3-11)20-17(21)13-6-9-15(19)10-13;/h4-5,7-8,11,13,15-16H,1-3,6,9-10,19H2,(H,20,21);1H
InChIKeyYABKLGUJOGNQCB-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697842
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119697846
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015746
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86891991
ethyl 3-[(3-aminocyclohexanecarbonyl)amino]-3-(4-fluorophenyl)propanoate;hydrochloride
CID 119755345
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 60848343
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119951249

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119775064) is 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NC(c2ccc(F)cc2)C2CCC2)C1.
What is the InChIKey of 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is YABKLGUJOGNQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.ClH/c18-14-7-4-12(5-8-14)16(11-2-1-3-11)20-17(21)13-6-9-15(19)10-13;/h4-5,7-8,11,13,15-16H,1-3,6,9-10,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 326.84 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119775064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).