2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

C17H19ClN2O3 — CID 120945408

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)c2ccccc12)NCC1CNCC1O
InChIInChI=1S/C17H19ClN2O3/c18-14-5-6-16(13-4-2-1-3-12(13)14)23-10-17(22)20-8-11-7-19-9-15(11)21/h1-6,11,15,19,21H,7-10H2,(H,20,22)
InChIKeyQGZJGIRRBLYBJB-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.57
Rot. Bonds5

About 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (PubChem CID 120945408) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
PubChem CID120945408
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)c2ccccc12)NCC1CNCC1O
InChIInChI=1S/C17H19ClN2O3/c18-14-5-6-16(13-4-2-1-3-12(13)14)23-10-17(22)20-8-11-7-19-9-15(11)21/h1-6,11,15,19,21H,7-10H2,(H,20,22)
InChIKeyQGZJGIRRBLYBJB-UHFFFAOYSA-N
XLogP1.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 120944120
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948074
N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide
CID 31364839
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943889
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8021473
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945161
2-(2,6-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120944560
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 120943410
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (CID 120945408) is 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is O=C(COc1ccc(Cl)c2ccccc12)NCC1CNCC1O.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The InChIKey is QGZJGIRRBLYBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-14-5-6-16(13-4-2-1-3-12(13)14)23-10-17(22)20-8-11-7-19-9-15(11)21/h1-6,11,15,19,21H,7-10H2,(H,20,22).
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide has a molecular weight of 334.80 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 120945408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).