1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide

C18H24FNO2 — CID 111445692

IUPAC1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCC1)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C18H24FNO2/c19-15-7-4-6-14(12-15)18(10-2-1-3-11-18)16(21)20-13-17(22)8-5-9-17/h4,6-7,12,22H,1-3,5,8-11,13H2,(H,20,21)
InChIKeyIAYWAUYCRJJVCB-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.06
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide

1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide (PubChem CID 111445692) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
PubChem CID111445692
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCC1)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C18H24FNO2/c19-15-7-4-6-14(12-15)18(10-2-1-3-11-18)16(21)20-13-17(22)8-5-9-17/h4,6-7,12,22H,1-3,5,8-11,13H2,(H,20,21)
InChIKeyIAYWAUYCRJJVCB-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
CID 55748767
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 75381149
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide (CID 111445692) is 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide is O=C(NCC1(O)CCC1)C1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is IAYWAUYCRJJVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-15-7-4-6-14(12-15)18(10-2-1-3-11-18)16(21)20-13-17(22)8-5-9-17/h4,6-7,12,22H,1-3,5,8-11,13H2,(H,20,21).
What are the key properties of 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide?
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 305.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 111445692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).