N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide

C24H22Cl2N2O4 — CID 38911210

IUPACN-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C24H22Cl2N2O4/c1-31-20-14-19(28-24(30)16-7-4-3-5-8-16)21(32-2)13-18(20)27-22(29)12-11-15-9-6-10-17(25)23(15)26/h3-10,13-14H,11-12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyXFHWKXJDSOJJCR-UHFFFAOYSA-N
MW473.36 g/mol
LogP5.83
Rot. Bonds8

About N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide

N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 38911210) has the molecular formula C24H22Cl2N2O4 and a molecular weight of 473.36 g/mol. Its IUPAC name is N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
PubChem CID38911210
Molecular FormulaC24H22Cl2N2O4
Molecular Weight473.36 g/mol
Exact Mass472.10
IUPAC NameN-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C24H22Cl2N2O4/c1-31-20-14-19(28-24(30)16-7-4-3-5-8-16)21(32-2)13-18(20)27-22(29)12-11-15-9-6-10-17(25)23(15)26/h3-10,13-14H,11-12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyXFHWKXJDSOJJCR-UHFFFAOYSA-N
XLogP5.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
CID 38886351
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide (CID 38911210) is N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is XFHWKXJDSOJJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4/c1-31-20-14-19(28-24(30)16-7-4-3-5-8-16)21(32-2)13-18(20)27-22(29)12-11-15-9-6-10-17(25)23(15)26/h3-10,13-14H,11-12H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 473.36 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 38911210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).