N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide

C17H16ClNO3 — CID 94763103

IUPACN-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO3/c1-3-22-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(18)9-13/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyVSKMNLPXPTVRGQ-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.19
Rot. Bonds5

About N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide

N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide (PubChem CID 94763103) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
PubChem CID94763103
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC NameN-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO3/c1-3-22-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(18)9-13/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyVSKMNLPXPTVRGQ-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
CID 61061489
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
CID 94763143
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
CID 164620621
methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
CID 118626412
3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134086
3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
CID 94763029
3-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958850
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide?
The IUPAC name of N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide (CID 94763103) is N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide.
What is the SMILES notation for N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide?
The canonical SMILES for N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide is CCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide?
The InChIKey is VSKMNLPXPTVRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-3-22-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(18)9-13/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide?
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide has a molecular weight of 317.77 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide is sourced from PubChem (CID 94763103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).