N-(2-chloro-4,5-diethoxyphenyl)propanamide

C13H18ClNO3 — CID 852887

IUPACN-(2-chloro-4,5-diethoxyphenyl)propanamide
SMILESCCOc1cc(Cl)c(NC(=O)CC)cc1OCC
InChIInChI=1S/C13H18ClNO3/c1-4-13(16)15-10-8-12(18-6-3)11(17-5-2)7-9(10)14/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyMGLMRPHRCHTNLX-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.49
Rot. Bonds6

About N-(2-chloro-4,5-diethoxyphenyl)propanamide

N-(2-chloro-4,5-diethoxyphenyl)propanamide (PubChem CID 852887) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(2-chloro-4,5-diethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-diethoxyphenyl)propanamide
PubChem CID852887
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(2-chloro-4,5-diethoxyphenyl)propanamide
SMILESCCOc1cc(Cl)c(NC(=O)CC)cc1OCC
InChIInChI=1S/C13H18ClNO3/c1-4-13(16)15-10-8-12(18-6-3)11(17-5-2)7-9(10)14/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyMGLMRPHRCHTNLX-UHFFFAOYSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide
CID 852877
N-[2-chloro-5-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513232
N-(4-amino-2-ethoxyphenyl)propanamide
CID 95910426
N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide
CID 87134854
N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide
CID 156782356
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 31013760

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-diethoxyphenyl)propanamide?
The IUPAC name of N-(2-chloro-4,5-diethoxyphenyl)propanamide (CID 852887) is N-(2-chloro-4,5-diethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-4,5-diethoxyphenyl)propanamide?
The canonical SMILES for N-(2-chloro-4,5-diethoxyphenyl)propanamide is CCOc1cc(Cl)c(NC(=O)CC)cc1OCC.
What is the InChIKey of N-(2-chloro-4,5-diethoxyphenyl)propanamide?
The InChIKey is MGLMRPHRCHTNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-4-13(16)15-10-8-12(18-6-3)11(17-5-2)7-9(10)14/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-4,5-diethoxyphenyl)propanamide?
N-(2-chloro-4,5-diethoxyphenyl)propanamide has a molecular weight of 271.74 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-diethoxyphenyl)propanamide is sourced from PubChem (CID 852887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).