5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide

C28H29ClN4O3 — CID 54833038

IUPAC5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
SMILESO=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C28H29ClN4O3/c29-25-15-14-21(17-24(25)28(36)32-20-10-5-2-6-11-20)30-18-26(34)31-22-12-7-13-23(16-22)33-27(35)19-8-3-1-4-9-19/h1,3-4,7-9,12-17,20,30H,2,5-6,10-11,18H2,(H,31,34)(H,32,36)(H,33,35)
InChIKeyVZTFBTIJJVTMFS-UHFFFAOYSA-N
MW505.02 g/mol
LogP5.71
Rot. Bonds8

About 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide

5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide (PubChem CID 54833038) has the molecular formula C28H29ClN4O3 and a molecular weight of 505.02 g/mol. Its IUPAC name is 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide.

Molecular Properties

Compound Name5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
PubChem CID54833038
Molecular FormulaC28H29ClN4O3
Molecular Weight505.02 g/mol
Exact Mass504.19
IUPAC Name5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
SMILESO=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C28H29ClN4O3/c29-25-15-14-21(17-24(25)28(36)32-20-10-5-2-6-11-20)30-18-26(34)31-22-12-7-13-23(16-22)33-27(35)19-8-3-1-4-9-19/h1,3-4,7-9,12-17,20,30H,2,5-6,10-11,18H2,(H,31,34)(H,32,36)(H,33,35)
InChIKeyVZTFBTIJJVTMFS-UHFFFAOYSA-N
XLogP5.71
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 55.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54833308
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832945
5-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833251
2-chloro-N-cyclohexyl-5-[[2-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
2-chloro-N-cyclohexyl-5-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide?
The IUPAC name of 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide (CID 54833038) is 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide.
What is the SMILES notation for 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide?
The canonical SMILES for 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide is O=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide?
The InChIKey is VZTFBTIJJVTMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3/c29-25-15-14-21(17-24(25)28(36)32-20-10-5-2-6-11-20)30-18-26(34)31-22-12-7-13-23(16-22)33-27(35)19-8-3-1-4-9-19/h1,3-4,7-9,12-17,20,30H,2,5-6,10-11,18H2,(H,31,34)(H,32,36)(H,33,35).
What are the key properties of 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide?
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide has a molecular weight of 505.02 g/mol, XLogP of 5.71, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide is sourced from PubChem (CID 54833038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).