N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide

C12H14FNO2 — CID 126766616

IUPACN-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1(O)CCC1
InChIInChI=1S/C12H14FNO2/c1-8-7-9(13)3-4-10(8)14-11(15)12(16)5-2-6-12/h3-4,7,16H,2,5-6H2,1H3,(H,14,15)
InChIKeyGOHPBRXOJNWRAD-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.99
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide

N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide (PubChem CID 126766616) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide
PubChem CID126766616
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1(O)CCC1
InChIInChI=1S/C12H14FNO2/c1-8-7-9(13)3-4-10(8)14-11(15)12(16)5-2-6-12/h3-4,7,16H,2,5-6H2,1H3,(H,14,15)
InChIKeyGOHPBRXOJNWRAD-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide (CID 126766616) is N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide is Cc1cc(F)ccc1NC(=O)C1(O)CCC1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide?
The InChIKey is GOHPBRXOJNWRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-7-9(13)3-4-10(8)14-11(15)12(16)5-2-6-12/h3-4,7,16H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide?
N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 126766616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).