N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide

C16H16ClNO3 — CID 43504310

IUPACN-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
SMILESCC(O)c1cccc(OCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-11(19)12-5-4-6-13(9-12)21-10-16(20)18-15-8-3-2-7-14(15)17/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyKLQZLBPDKRSCIM-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.41
Rot. Bonds5

About N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide

N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide (PubChem CID 43504310) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
PubChem CID43504310
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
SMILESCC(O)c1cccc(OCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-11(19)12-5-4-6-13(9-12)21-10-16(20)18-15-8-3-2-7-14(15)17/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyKLQZLBPDKRSCIM-UHFFFAOYSA-N
XLogP3.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884621
3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
CID 2229520
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
CID 78930303
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
CID 1285426
N-[2-(1-hydroxyethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 60728516
N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63365692

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide (CID 43504310) is N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide is CC(O)c1cccc(OCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The InChIKey is KLQZLBPDKRSCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-11(19)12-5-4-6-13(9-12)21-10-16(20)18-15-8-3-2-7-14(15)17/h2-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide has a molecular weight of 305.76 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide is sourced from PubChem (CID 43504310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).