2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide

C19H20ClNO4 — CID 78883338

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO4/c1-2-21(11-12-22)18(23)13-25-17-9-5-15(6-10-17)19(24)14-3-7-16(20)8-4-14/h3-10,22H,2,11-13H2,1H3
InChIKeyVLJNATQCXXKUKA-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.79
Rot. Bonds8

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 78883338) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID78883338
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO4/c1-2-21(11-12-22)18(23)13-25-17-9-5-15(6-10-17)19(24)14-3-7-16(20)8-4-14/h3-10,22H,2,11-13H2,1H3
InChIKeyVLJNATQCXXKUKA-UHFFFAOYSA-N
XLogP2.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 58434171
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanopropyl)-N-ethylacetamide
CID 60516089
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
CID 60655198
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
CID 78970690
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide
CID 7643378
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
CID 43268912
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771645
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 78883338) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is VLJNATQCXXKUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-2-21(11-12-22)18(23)13-25-17-9-5-15(6-10-17)19(24)14-3-7-16(20)8-4-14/h3-10,22H,2,11-13H2,1H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 361.83 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 78883338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).