4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide

C17H16Cl2N2O2 — CID 24647438

IUPAC4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-2-5-14(19)10-15(11)21-16(22)8-9-20-17(23)12-3-6-13(18)7-4-12/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyZLZRLFZZVGTITL-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.06
Rot. Bonds5

About 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide

4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide (PubChem CID 24647438) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
PubChem CID24647438
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-2-5-14(19)10-15(11)21-16(22)8-9-20-17(23)12-3-6-13(18)7-4-12/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyZLZRLFZZVGTITL-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 51121398
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CID 9439469
4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide
CID 55886913
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
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N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide (CID 24647438) is 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide is Cc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide?
The InChIKey is ZLZRLFZZVGTITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-2-5-14(19)10-15(11)21-16(22)8-9-20-17(23)12-3-6-13(18)7-4-12/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 24647438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).