4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide

C23H21ClN2O4 — CID 38955675

IUPAC4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C23H21ClN2O4/c1-26(2)23(28)16-8-13-20(24)21(14-16)25-22(27)15-29-17-9-11-19(12-10-17)30-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeySQYOLWDNMVKGKI-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.85
Rot. Bonds7

About 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide

4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide (PubChem CID 38955675) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide
PubChem CID38955675
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C23H21ClN2O4/c1-26(2)23(28)16-8-13-20(24)21(14-16)25-22(27)15-29-17-9-11-19(12-10-17)30-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeySQYOLWDNMVKGKI-UHFFFAOYSA-N
XLogP4.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 55670012
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60537519
N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 1179092
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
CID 55893966
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 4511691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide (CID 38955675) is 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide?
The InChIKey is SQYOLWDNMVKGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-26(2)23(28)16-8-13-20(24)21(14-16)25-22(27)15-29-17-9-11-19(12-10-17)30-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide?
4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide has a molecular weight of 424.88 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 38955675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).