2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide

C15H22ClN3O4 — CID 120962121

IUPAC2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCC2CNCC2O)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C15H22ClN3O4/c1-22-13-3-9(2-11(16)15(13)23-8-14(17)21)4-18-5-10-6-19-7-12(10)20/h2-3,10,12,18-20H,4-8H2,1H3,(H2,17,21)
InChIKeyQFTORPUUSYULSX-UHFFFAOYSA-N
MW343.81 g/mol
LogP-0.12
Rot. Bonds8

About 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide

2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide (PubChem CID 120962121) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide
PubChem CID120962121
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCC2CNCC2O)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C15H22ClN3O4/c1-22-13-3-9(2-11(16)15(13)23-8-14(17)21)4-18-5-10-6-19-7-12(10)20/h2-3,10,12,18-20H,4-8H2,1H3,(H2,17,21)
InChIKeyQFTORPUUSYULSX-UHFFFAOYSA-N
XLogP-0.12
TPSA105.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide 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

4-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963112
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
CID 119122825
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
4-[[(3-iodo-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962135
2-[4-[[azetidin-3-yl(methyl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 66186821
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide (CID 120962121) is 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide is COc1cc(CNCC2CNCC2O)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide?
The InChIKey is QFTORPUUSYULSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4/c1-22-13-3-9(2-11(16)15(13)23-8-14(17)21)4-18-5-10-6-19-7-12(10)20/h2-3,10,12,18-20H,4-8H2,1H3,(H2,17,21).
What are the key properties of 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide has a molecular weight of 343.81 g/mol, XLogP of -0.12, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 120962121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).