2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide

C17H16Cl2N2O2 — CID 108537980

IUPAC2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-2-4-12(5-3-11)16(22)20-8-9-21-17(23)14-10-13(18)6-7-15(14)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyFAHDKQAGTGHCCC-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.46
Rot. Bonds5

About 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide

2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide (PubChem CID 108537980) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
PubChem CID108537980
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-2-4-12(5-3-11)16(22)20-8-9-21-17(23)14-10-13(18)6-7-15(14)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyFAHDKQAGTGHCCC-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

2,5-dichloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108540671
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 108573417
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
N-[2-(4-chloro-2-cyanoanilino)ethyl]-4-methylbenzamide
CID 133282125
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide (CID 108537980) is 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide?
The InChIKey is FAHDKQAGTGHCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-2-4-12(5-3-11)16(22)20-8-9-21-17(23)14-10-13(18)6-7-15(14)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide?
2,5-dichloro-N-[2-[(4-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 2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108537980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).