2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C18H18Cl2N2O3 — CID 120948185

IUPAC2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c19-12-4-1-2-6-15(12)25-16-7-3-5-13(20)17(16)18(24)22-9-11-8-21-10-14(11)23/h1-7,11,14,21,23H,8-10H2,(H,22,24)
InChIKeyUCTOOKYTMFXRGV-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.10
Rot. Bonds5

About 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120948185) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120948185
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c19-12-4-1-2-6-15(12)25-16-7-3-5-13(20)17(16)18(24)22-9-11-8-21-10-14(11)23/h1-7,11,14,21,23H,8-10H2,(H,22,24)
InChIKeyUCTOOKYTMFXRGV-UHFFFAOYSA-N
XLogP3.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514188
2-(2,6-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120944560
2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537624
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448747
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 120948034
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
2-(2,6-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943517

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120948185) is 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1c(Cl)cccc1Oc1ccccc1Cl.
What is the InChIKey of 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is UCTOOKYTMFXRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c19-12-4-1-2-6-15(12)25-16-7-3-5-13(20)17(16)18(24)22-9-11-8-21-10-14(11)23/h1-7,11,14,21,23H,8-10H2,(H,22,24).
What are the key properties of 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 381.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120948185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).