4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride

C16H22Cl2N2O2 — CID 119453799

IUPAC4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C16H21ClN2O2.ClH/c17-13-3-1-2-12(10-13)16(5-8-21-9-6-16)15(20)19-14-4-7-18-11-14;/h1-3,10,14,18H,4-9,11H2,(H,19,20);1H
InChIKeySFTWOAAYTXGQNN-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.29
Rot. Bonds3

About 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride

4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride (PubChem CID 119453799) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
PubChem CID119453799
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C16H21ClN2O2.ClH/c17-13-3-1-2-12(10-13)16(5-8-21-9-6-16)15(20)19-14-4-7-18-11-14;/h1-3,10,14,18H,4-9,11H2,(H,19,20);1H
InChIKeySFTWOAAYTXGQNN-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 119537652
1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119450721
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
CID 119427380
4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide
CID 94829023
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride (CID 119453799) is 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride?
The InChIKey is SFTWOAAYTXGQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2.ClH/c17-13-3-1-2-12(10-13)16(5-8-21-9-6-16)15(20)19-14-4-7-18-11-14;/h1-3,10,14,18H,4-9,11H2,(H,19,20);1H.
What are the key properties of 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride?
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 119453799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).