N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide

C18H19ClN2O2 — CID 122154894

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide
SMILESO=C(Cc1ccc(=O)[nH]c1)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H19ClN2O2/c19-15-5-3-14(4-6-15)18(8-1-9-18)12-21-17(23)10-13-2-7-16(22)20-11-13/h2-7,11H,1,8-10,12H2,(H,20,22)(H,21,23)
InChIKeyAXDVZXFQTKXAIE-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.81
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide (PubChem CID 122154894) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide
PubChem CID122154894
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide
SMILESO=C(Cc1ccc(=O)[nH]c1)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H19ClN2O2/c19-15-5-3-14(4-6-15)18(8-1-9-18)12-21-17(23)10-13-2-7-16(22)20-11-13/h2-7,11H,1,8-10,12H2,(H,20,22)(H,21,23)
InChIKeyAXDVZXFQTKXAIE-UHFFFAOYSA-N
XLogP2.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772654
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56819138
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119769965
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide (CID 122154894) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide is O=C(Cc1ccc(=O)[nH]c1)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide?
The InChIKey is AXDVZXFQTKXAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-5-3-14(4-6-15)18(8-1-9-18)12-21-17(23)10-13-2-7-16(22)20-11-13/h2-7,11H,1,8-10,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 122154894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).