N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide

C15H13ClN2O3 — CID 46224784

IUPACN-[2-(4-chloroanilino)-2-oxoethoxy]benzamide
SMILESO=C(CONC(=O)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-12-6-8-13(9-7-12)17-14(19)10-21-18-15(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyRXFWHHMVHQICSJ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide

N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide (PubChem CID 46224784) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethoxy]benzamide
PubChem CID46224784
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethoxy]benzamide
SMILESO=C(CONC(=O)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-12-6-8-13(9-7-12)17-14(19)10-21-18-15(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyRXFWHHMVHQICSJ-UHFFFAOYSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-5-nitrobenzanilide
CID 644213
Ccg-1423
CID 2726015
Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
3'-Chloro-M-toluanilide
CID 531963
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111
2-amino-N-(3-chlorophenyl)benzamide
CID 720859
N-(3-chlorophenyl)-3-fluorobenzamide
CID 532008
2-Chloro-4'-nitrobenzanilide
CID 2787761

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide (CID 46224784) is N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide is O=C(CONC(=O)c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide?
The InChIKey is RXFWHHMVHQICSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-6-8-13(9-7-12)17-14(19)10-21-18-15(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide?
N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide has a molecular weight of 304.73 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 46224784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).