2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide

C11H14ClNO3 — CID 96662357

IUPAC2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(CC(=O)NCCO)cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-16-10-3-2-8(6-9(10)12)7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyQDQRYVBKYZQGDD-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.00
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide

2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 96662357) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
PubChem CID96662357
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(CC(=O)NCCO)cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-16-10-3-2-8(6-9(10)12)7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyQDQRYVBKYZQGDD-UHFFFAOYSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
CID 45051439
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
1-(3-chloro-4-methoxyphenyl)-3-sulfanylpropan-2-one
CID 58139123
3-[(3-chloro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163377
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 115175874
N-(2-methoxyethyl)-2-(4-methoxy-3-propan-2-ylphenyl)acetamide
CID 110767573
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide (CID 96662357) is 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide is COc1ccc(CC(=O)NCCO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is QDQRYVBKYZQGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-16-10-3-2-8(6-9(10)12)7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide?
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 243.69 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 96662357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).