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

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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).