3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide

C15H12Cl3NO — CID 51058277

IUPAC3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl3NO/c16-11-5-2-1-4-10(11)8-9-14(20)19-15-12(17)6-3-7-13(15)18/h1-7H,8-9H2,(H,19,20)
InChIKeyATRFHSRVHSBMBD-UHFFFAOYSA-N
MW328.63 g/mol
LogP5.22
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide

3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 51058277) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
PubChem CID51058277
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl3NO/c16-11-5-2-1-4-10(11)8-9-14(20)19-15-12(17)6-3-7-13(15)18/h1-7H,8-9H2,(H,19,20)
InChIKeyATRFHSRVHSBMBD-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622808

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide (CID 51058277) is 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide is O=C(CCc1ccccc1Cl)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is ATRFHSRVHSBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-11-5-2-1-4-10(11)8-9-14(20)19-15-12(17)6-3-7-13(15)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide?
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 328.63 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 51058277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).