4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide

C17H17ClN2O2 — CID 53250752

IUPAC4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(OC2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c18-13-3-1-12(2-4-13)17(21)20-14-5-7-15(8-6-14)22-16-9-10-19-11-16/h1-8,16,19H,9-11H2,(H,20,21)
InChIKeyVKHZMKDBZDOSPN-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide

4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide (PubChem CID 53250752) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide
PubChem CID53250752
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(OC2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c18-13-3-1-12(2-4-13)17(21)20-14-5-7-15(8-6-14)22-16-9-10-19-11-16/h1-8,16,19H,9-11H2,(H,20,21)
InChIKeyVKHZMKDBZDOSPN-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 221848
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
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CID 23648317
(3-Chloro-4-fluorophenyl)-[4-[[2-[3-(dimethylamino)phenoxy]ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[3-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256760
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[2-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257265
4-Chloro-4'-ethoxybenzanilide
CID 587141
4-(4-Chlorobenzoyl)-1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperazin-2-one;hydrochloride
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N-(5-acetamido-2-methoxyphenyl)-4-chlorobenzamide
CID 2579845
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide (CID 53250752) is 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide is O=C(Nc1ccc(OC2CCNC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide?
The InChIKey is VKHZMKDBZDOSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-13-3-1-12(2-4-13)17(21)20-14-5-7-15(8-6-14)22-16-9-10-19-11-16/h1-8,16,19H,9-11H2,(H,20,21).
What are the key properties of 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide?
4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 53250752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).