3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide

C17H18ClNO3 — CID 17134086

IUPAC3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
SMILESCCOCCOc1ccccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-2-21-10-11-22-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyHNFOPNAOCKIAOU-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.01
Rot. Bonds7

About 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide

3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide (PubChem CID 17134086) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
PubChem CID17134086
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
SMILESCCOCCOc1ccccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-2-21-10-11-22-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyHNFOPNAOCKIAOU-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.01
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

3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17134093
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
CID 94763029
3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907
ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1335221
3-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958850

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide (CID 17134086) is 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide is CCOCCOc1ccccc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide?
The InChIKey is HNFOPNAOCKIAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-2-21-10-11-22-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide?
3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide has a molecular weight of 319.79 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17134086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).