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

C18H20ClNO3 — CID 852877

IUPACN-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide
SMILESCCOc1cc(Cl)c(NC(=O)Cc2ccccc2)cc1OCC
InChIInChI=1S/C18H20ClNO3/c1-3-22-16-11-14(19)15(12-17(16)23-4-2)20-18(21)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyHSUIJGDVEFVVMG-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.32
Rot. Bonds7

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

N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide (PubChem CID 852877) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide
PubChem CID852877
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide
SMILESCCOc1cc(Cl)c(NC(=O)Cc2ccccc2)cc1OCC
InChIInChI=1S/C18H20ClNO3/c1-3-22-16-11-14(19)15(12-17(16)23-4-2)20-18(21)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyHSUIJGDVEFVVMG-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
N-(4-amino-2-chloro-5-ethoxyphenyl)benzamide
CID 23464367
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119745056
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
N-[2-chloro-5-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513232
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119745055
N-(2-ethoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399878
2-(2-chlorophenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 26179955
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739
N-[2-(2-ethoxyethoxy)phenyl]-2-phenylacetamide
CID 17134061
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)-2-phenylacetamide?
The IUPAC name of N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide (CID 852877) is N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide is CCOc1cc(Cl)c(NC(=O)Cc2ccccc2)cc1OCC.
What is the InChIKey of N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide?
The InChIKey is HSUIJGDVEFVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-22-16-11-14(19)15(12-17(16)23-4-2)20-18(21)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide?
N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide has a molecular weight of 333.82 g/mol, XLogP of 4.32, 7 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)-2-phenylacetamide is sourced from PubChem (CID 852877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).