2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C18H19Cl3N2O2 — CID 119514188

IUPAC2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C18H18Cl2N2O2.ClH/c19-13-6-1-2-8-15(13)24-16-9-3-7-14(20)17(16)18(23)22-11-12-5-4-10-21-12;/h1-3,6-9,12,21H,4-5,10-11H2,(H,22,23);1H
InChIKeyKHDMTIOXEUHSBT-UHFFFAOYSA-N
MW401.72 g/mol
LogP4.69
Rot. Bonds5

About 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119514188) has the molecular formula C18H19Cl3N2O2 and a molecular weight of 401.72 g/mol. Its IUPAC name is 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119514188
Molecular FormulaC18H19Cl3N2O2
Molecular Weight401.72 g/mol
Exact Mass400.05
IUPAC Name2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C18H18Cl2N2O2.ClH/c19-13-6-1-2-8-15(13)24-16-9-3-7-14(20)17(16)18(23)22-11-12-5-4-10-21-12;/h1-3,6-9,12,21H,4-5,10-11H2,(H,22,23);1H
InChIKeyKHDMTIOXEUHSBT-UHFFFAOYSA-N
XLogP4.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.72
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 91841478
2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948185
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537624
2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide
CID 154844464
3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107098061
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974420
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
5-[(2,6-dichlorophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119514912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119514188) is 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1c(Cl)cccc1Oc1ccccc1Cl.
What is the InChIKey of 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is KHDMTIOXEUHSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2.ClH/c19-13-6-1-2-8-15(13)24-16-9-3-7-14(20)17(16)18(23)22-11-12-5-4-10-21-12;/h1-3,6-9,12,21H,4-5,10-11H2,(H,22,23);1H.
What are the key properties of 2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 401.72 g/mol, XLogP of 4.69, 5 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-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119514188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).