4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide

C12H16ClNO3 — CID 81055002

IUPAC4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H16ClNO3/c1-3-17-7-6-14(2)12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyXMWTYYGPLGVIQN-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.15
Rot. Bonds5

About 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide

4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide (PubChem CID 81055002) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
PubChem CID81055002
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H16ClNO3/c1-3-17-7-6-14(2)12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyXMWTYYGPLGVIQN-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
CID 114242843
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
N-[2-(2-bromoethoxy)ethyl]-4-chloro-N,2-dimethylbenzamide
CID 114242797
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63957648
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
CID 81055309
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-N,4-dimethylbenzamide
CID 114242808
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide?
The IUPAC name of 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide (CID 81055002) is 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide is CCOCCN(C)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide?
The InChIKey is XMWTYYGPLGVIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-17-7-6-14(2)12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide?
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide has a molecular weight of 257.72 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 81055002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).