5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide

C18H18Cl2N2O2 — CID 3967423

IUPAC5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1N1CCCC1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-16-8-7-12(19)11-13(16)18(23)21-15-6-4-5-14(20)17(15)22-9-2-3-10-22/h4-8,11H,2-3,9-10H2,1H3,(H,21,23)
InChIKeyNEAYFCBFSCPWAJ-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.85
Rot. Bonds4

About 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide

5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide (PubChem CID 3967423) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
PubChem CID3967423
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1N1CCCC1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-16-8-7-12(19)11-13(16)18(23)21-15-6-4-5-14(20)17(15)22-9-2-3-10-22/h4-8,11H,2-3,9-10H2,1H3,(H,21,23)
InChIKeyNEAYFCBFSCPWAJ-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide (CID 3967423) is 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1N1CCCC1.
What is the InChIKey of 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The InChIKey is NEAYFCBFSCPWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-24-16-8-7-12(19)11-13(16)18(23)21-15-6-4-5-14(20)17(15)22-9-2-3-10-22/h4-8,11H,2-3,9-10H2,1H3,(H,21,23).
What are the key properties of 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 3967423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).