2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide

C18H18ClFN2O2 — CID 91789451

IUPAC2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide
SMILESO=C(NC(Cc1ccncc1)C1CC(O)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H18ClFN2O2/c19-16-10-13(20)1-2-15(16)18(24)22-17(12-8-14(23)9-12)7-11-3-5-21-6-4-11/h1-6,10,12,14,17,23H,7-9H2,(H,22,24)
InChIKeyDESGEXXIBPNLMT-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.99
Rot. Bonds5

About 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide

2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide (PubChem CID 91789451) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide
PubChem CID91789451
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide
SMILESO=C(NC(Cc1ccncc1)C1CC(O)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H18ClFN2O2/c19-16-10-13(20)1-2-15(16)18(24)22-17(12-8-14(23)9-12)7-11-3-5-21-6-4-11/h1-6,10,12,14,17,23H,7-9H2,(H,22,24)
InChIKeyDESGEXXIBPNLMT-UHFFFAOYSA-N
XLogP2.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide (CID 91789451) is 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide is O=C(NC(Cc1ccncc1)C1CC(O)C1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide?
The InChIKey is DESGEXXIBPNLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-16-10-13(20)1-2-15(16)18(24)22-17(12-8-14(23)9-12)7-11-3-5-21-6-4-11/h1-6,10,12,14,17,23H,7-9H2,(H,22,24).
What are the key properties of 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide?
2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide has a molecular weight of 348.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 91789451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).