2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide

C16H13Cl3N2O2 — CID 46433349

IUPAC2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c17-10-5-6-12(14(19)9-10)16(23)21-8-7-20-15(22)11-3-1-2-4-13(11)18/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyPNSGBQSTDDDFAA-UHFFFAOYSA-N
MW371.65 g/mol
LogP3.81
Rot. Bonds5

About 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide

2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide (PubChem CID 46433349) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
PubChem CID46433349
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC Name2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c17-10-5-6-12(14(19)9-10)16(23)21-8-7-20-15(22)11-3-1-2-4-13(11)18/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyPNSGBQSTDDDFAA-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
2,4-dichloro-N-[2-[(2-cyanoacetyl)amino]ethyl]benzamide
CID 108570422
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide (CID 46433349) is 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide?
The InChIKey is PNSGBQSTDDDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c17-10-5-6-12(14(19)9-10)16(23)21-8-7-20-15(22)11-3-1-2-4-13(11)18/h1-6,9H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide?
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide has a molecular weight of 371.65 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 46433349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).