N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide

C25H23ClN2O5 — CID 26877905

IUPACN-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O5/c1-32-22-15-20(28-25(31)17-6-4-3-5-7-17)23(33-2)14-19(22)27-24(30)13-12-21(29)16-8-10-18(26)11-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNDTRCTYBAFTCFE-UHFFFAOYSA-N
MW466.92 g/mol
LogP5.21
Rot. Bonds9

About N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide

N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 26877905) has the molecular formula C25H23ClN2O5 and a molecular weight of 466.92 g/mol. Its IUPAC name is N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
PubChem CID26877905
Molecular FormulaC25H23ClN2O5
Molecular Weight466.92 g/mol
Exact Mass466.13
IUPAC NameN-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O5/c1-32-22-15-20(28-25(31)17-6-4-3-5-7-17)23(33-2)14-19(22)27-24(30)13-12-21(29)16-8-10-18(26)11-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNDTRCTYBAFTCFE-UHFFFAOYSA-N
XLogP5.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.92
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide with MolForge

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26620549
4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 51090288
N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
CID 4203137
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 38911210
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26210798

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide (CID 26877905) is N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is NDTRCTYBAFTCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O5/c1-32-22-15-20(28-25(31)17-6-4-3-5-7-17)23(33-2)14-19(22)27-24(30)13-12-21(29)16-8-10-18(26)11-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 466.92 g/mol, XLogP of 5.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 26877905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).