3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide

C18H19ClN2O2 — CID 119449796

IUPAC3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c19-15-5-1-3-13(9-15)12-23-17-6-2-4-14(10-17)18(22)21-16-7-8-20-11-16/h1-6,9-10,16,20H,7-8,11-12H2,(H,21,22)
InChIKeyQZKJCKCIJRRSIS-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.01
Rot. Bonds5

About 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide

3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide (PubChem CID 119449796) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
PubChem CID119449796
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c19-15-5-1-3-13(9-15)12-23-17-6-2-4-14(10-17)18(22)21-16-7-8-20-11-16/h1-6,9-10,16,20H,7-8,11-12H2,(H,21,22)
InChIKeyQZKJCKCIJRRSIS-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852
3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449633
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534430
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119458703
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide
CID 90770811
[3-[(3-chlorophenyl)methoxy]phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621851
[3-[(3-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635191

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide (CID 119449796) is 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1cccc(OCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is QZKJCKCIJRRSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-5-1-3-13(9-15)12-23-17-6-2-4-14(10-17)18(22)21-16-7-8-20-11-16/h1-6,9-10,16,20H,7-8,11-12H2,(H,21,22).
What are the key properties of 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide?
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119449796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).