1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide

C19H21ClN2O2 — CID 91776945

IUPAC1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
SMILESCOCC(NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccn1
InChIInChI=1S/C19H21ClN2O2/c1-24-13-17(16-5-2-3-12-21-16)22-18(23)19(10-4-11-19)14-6-8-15(20)9-7-14/h2-3,5-9,12,17H,4,10-11,13H2,1H3,(H,22,23)
InChIKeyGVFXKJCOMXUIJG-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide (PubChem CID 91776945) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
PubChem CID91776945
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
SMILESCOCC(NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccn1
InChIInChI=1S/C19H21ClN2O2/c1-24-13-17(16-5-2-3-12-21-16)22-18(23)19(10-4-11-19)14-6-8-15(20)9-7-14/h2-3,5-9,12,17H,4,10-11,13H2,1H3,(H,22,23)
InChIKeyGVFXKJCOMXUIJG-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide
CID 136531933
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
CID 122557901
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
CID 122559880
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide
CID 103930614
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
CID 122562645
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide (CID 91776945) is 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide is COCC(NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is GVFXKJCOMXUIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-13-17(16-5-2-3-12-21-16)22-18(23)19(10-4-11-19)14-6-8-15(20)9-7-14/h2-3,5-9,12,17H,4,10-11,13H2,1H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 91776945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).