1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide

C19H21ClN2O2 — CID 90649368

IUPAC1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide
SMILESCC(CNC(=O)C1(c2ccc(Cl)cc2)CCC1)Oc1cccnc1
InChIInChI=1S/C19H21ClN2O2/c1-14(24-17-4-2-11-21-13-17)12-22-18(23)19(9-3-10-19)15-5-7-16(20)8-6-15/h2,4-8,11,13-14H,3,9-10,12H2,1H3,(H,22,23)
InChIKeyVBTSYCLVJPSRJT-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.74
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide (PubChem CID 90649368) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide
PubChem CID90649368
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide
SMILESCC(CNC(=O)C1(c2ccc(Cl)cc2)CCC1)Oc1cccnc1
InChIInChI=1S/C19H21ClN2O2/c1-14(24-17-4-2-11-21-13-17)12-22-18(23)19(9-3-10-19)15-5-7-16(20)8-6-15/h2,4-8,11,13-14H,3,9-10,12H2,1H3,(H,22,23)
InChIKeyVBTSYCLVJPSRJT-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-(2-pyridin-3-yloxypropyl)cyclopentane-1-carboxamide
CID 90649820
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 168737013
1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119335598
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-[2-(4-chlorophenoxy)propyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 71993784
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide (CID 90649368) is 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide is CC(CNC(=O)C1(c2ccc(Cl)cc2)CCC1)Oc1cccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide?
The InChIKey is VBTSYCLVJPSRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(24-17-4-2-11-21-13-17)12-22-18(23)19(9-3-10-19)15-5-7-16(20)8-6-15/h2,4-8,11,13-14H,3,9-10,12H2,1H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 3.74, 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-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 90649368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).