N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide

C12H16ClNO3 — CID 61062461

IUPACN-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)COC
InChIInChI=1S/C12H16ClNO3/c1-3-6-17-11-5-4-9(13)7-10(11)14-12(15)8-16-2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyQDMXXSYRDSEJJQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.71
Rot. Bonds6

About N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide

N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide (PubChem CID 61062461) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
PubChem CID61062461
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)COC
InChIInChI=1S/C12H16ClNO3/c1-3-6-17-11-5-4-9(13)7-10(11)14-12(15)8-16-2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyQDMXXSYRDSEJJQ-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
CID 18277509
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119949937
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
2-(1-aminocyclobutyl)-N-(5-chloro-2-propoxyphenyl)acetamide
CID 79854161
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-methoxyacetamide
CID 100616707
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide (CID 61062461) is N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide is CCCOc1ccc(Cl)cc1NC(=O)COC.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide?
The InChIKey is QDMXXSYRDSEJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-6-17-11-5-4-9(13)7-10(11)14-12(15)8-16-2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide?
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide has a molecular weight of 257.72 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide is sourced from PubChem (CID 61062461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).