5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide

C19H21ClN2O3 — CID 91785265

IUPAC5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(Cc1ccccn1)C1CC(O)C1
InChIInChI=1S/C19H21ClN2O3/c1-25-18-6-5-13(20)10-16(18)19(24)22-17(12-8-15(23)9-12)11-14-4-2-3-7-21-14/h2-7,10,12,15,17,23H,8-9,11H2,1H3,(H,22,24)
InChIKeyFUWSSRPODJXONK-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.86
Rot. Bonds6

About 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide

5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide (PubChem CID 91785265) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide
PubChem CID91785265
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(Cc1ccccn1)C1CC(O)C1
InChIInChI=1S/C19H21ClN2O3/c1-25-18-6-5-13(20)10-16(18)19(24)22-17(12-8-15(23)9-12)11-14-4-2-3-7-21-14/h2-7,10,12,15,17,23H,8-9,11H2,1H3,(H,22,24)
InChIKeyFUWSSRPODJXONK-UHFFFAOYSA-N
XLogP2.86
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 91789615
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91797220
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
2-(2,3-difluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91770411
5-chloro-2-methoxy-N-[3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 53161586
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91775415
5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108770761
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 153385786
2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91797524
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91786823

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide (CID 91785265) is 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC(Cc1ccccn1)C1CC(O)C1.
What is the InChIKey of 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide?
The InChIKey is FUWSSRPODJXONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-25-18-6-5-13(20)10-16(18)19(24)22-17(12-8-15(23)9-12)11-14-4-2-3-7-21-14/h2-7,10,12,15,17,23H,8-9,11H2,1H3,(H,22,24).
What are the key properties of 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide?
5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide has a molecular weight of 360.84 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide is sourced from PubChem (CID 91785265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).