3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide

C24H21Cl2N3O3 — CID 55724997

IUPAC3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1
InChIInChI=1S/C24H21Cl2N3O3/c1-3-22(30)27-20-7-4-14(2)21(13-20)29-23(31)15-5-8-19(9-6-15)28-24(32)16-10-17(25)12-18(26)11-16/h4-13H,3H2,1-2H3,(H,27,30)(H,28,32)(H,29,31)
InChIKeyRONLTHLVMRTJGM-UHFFFAOYSA-N
MW470.36 g/mol
LogP6.15
Rot. Bonds6

About 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide

3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 55724997) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
PubChem CID55724997
Molecular FormulaC24H21Cl2N3O3
Molecular Weight470.36 g/mol
Exact Mass469.10
IUPAC Name3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1
InChIInChI=1S/C24H21Cl2N3O3/c1-3-22(30)27-20-7-4-14(2)21(13-20)29-23(31)15-5-8-19(9-6-15)28-24(32)16-10-17(25)12-18(26)11-16/h4-13H,3H2,1-2H3,(H,27,30)(H,28,32)(H,29,31)
InChIKeyRONLTHLVMRTJGM-UHFFFAOYSA-N
XLogP6.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 46478145
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide (CID 55724997) is 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide is CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1.
What is the InChIKey of 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is RONLTHLVMRTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c1-3-22(30)27-20-7-4-14(2)21(13-20)29-23(31)15-5-8-19(9-6-15)28-24(32)16-10-17(25)12-18(26)11-16/h4-13H,3H2,1-2H3,(H,27,30)(H,28,32)(H,29,31).
What are the key properties of 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide?
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 470.36 g/mol, XLogP of 6.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 55724997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).