2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide

C17H17ClN2O3 — CID 17218190

IUPAC2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-23-11-10-19-16(21)12-6-8-13(9-7-12)20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVZPCWBMKAZWVKC-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.97
Rot. Bonds6

About 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide

2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide (PubChem CID 17218190) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
PubChem CID17218190
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-23-11-10-19-16(21)12-6-8-13(9-7-12)20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVZPCWBMKAZWVKC-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54832614
2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 17204993
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide
CID 17201202

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide (CID 17218190) is 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide is COCCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide?
The InChIKey is VZPCWBMKAZWVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-11-10-19-16(21)12-6-8-13(9-7-12)20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide?
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17218190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).