2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide

C19H20Cl2N2O2 — CID 119537624

IUPAC2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-14-4-1-2-6-16(14)25-17-7-3-5-15(21)18(17)19(24)23-11-9-13-8-10-22-12-13/h1-7,13,22H,8-12H2,(H,23,24)
InChIKeyXOJHMJYQOODGGF-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.52
Rot. Bonds6

About 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide

2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119537624) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119537624
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-14-4-1-2-6-16(14)25-17-7-3-5-15(21)18(17)19(24)23-11-9-13-8-10-22-12-13/h1-7,13,22H,8-12H2,(H,23,24)
InChIKeyXOJHMJYQOODGGF-UHFFFAOYSA-N
XLogP4.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948185
2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514188
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535561
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119537624) is 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide is O=C(NCCC1CCNC1)c1c(Cl)cccc1Oc1ccccc1Cl.
What is the InChIKey of 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is XOJHMJYQOODGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-14-4-1-2-6-16(14)25-17-7-3-5-15(21)18(17)19(24)23-11-9-13-8-10-22-12-13/h1-7,13,22H,8-12H2,(H,23,24).
What are the key properties of 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119537624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).