4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide

C18H25ClN2O2 — CID 119537652

IUPAC4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
SMILESO=C(NCCC1CCNC1)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c19-16-3-1-2-15(12-16)18(6-10-23-11-7-18)17(22)21-9-5-14-4-8-20-13-14/h1-3,12,14,20H,4-11,13H2,(H,21,22)
InChIKeyYOZQYZZXAXKZQH-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.50
Rot. Bonds5

About 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide

4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide (PubChem CID 119537652) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
PubChem CID119537652
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
SMILESO=C(NCCC1CCNC1)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c19-16-3-1-2-15(12-16)18(6-10-23-11-7-18)17(22)21-9-5-14-4-8-20-13-14/h1-3,12,14,20H,4-11,13H2,(H,21,22)
InChIKeyYOZQYZZXAXKZQH-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101
1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119555237
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
4-(3-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]oxane-4-carboxamide
CID 55996291
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 60566039

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide (CID 119537652) is 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide is O=C(NCCC1CCNC1)C1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide?
The InChIKey is YOZQYZZXAXKZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-16-3-1-2-15(12-16)18(6-10-23-11-7-18)17(22)21-9-5-14-4-8-20-13-14/h1-3,12,14,20H,4-11,13H2,(H,21,22).
What are the key properties of 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide?
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 119537652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).