2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

C17H16Cl2N2O2 — CID 108573745

IUPAC2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-3-2-4-12(9-11)16(22)20-7-8-21-17(23)14-6-5-13(18)10-15(14)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyOTOHKJIRMAJSLH-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.46
Rot. Bonds5

About 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (PubChem CID 108573745) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
PubChem CID108573745
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-3-2-4-12(9-11)16(22)20-7-8-21-17(23)14-6-5-13(18)10-15(14)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyOTOHKJIRMAJSLH-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.46
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

2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (CID 108573745) is 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is Cc1cccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The InChIKey is OTOHKJIRMAJSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-3-2-4-12(9-11)16(22)20-7-8-21-17(23)14-6-5-13(18)10-15(14)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.46, 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-[(3-methylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108573745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).