2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide

C29H28ClF3N4O3 — CID 54833308

IUPAC2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C29H28ClF3N4O3/c30-25-13-12-21(16-24(25)28(40)36-20-8-2-1-3-9-20)34-17-26(38)35-22-10-4-6-18(14-22)27(39)37-23-11-5-7-19(15-23)29(31,32)33/h4-7,10-16,20,34H,1-3,8-9,17H2,(H,35,38)(H,36,40)(H,37,39)
InChIKeyXSKFCRBJRLNMHP-UHFFFAOYSA-N
MW573.02 g/mol
LogP6.72
Rot. Bonds8

About 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide (PubChem CID 54833308) has the molecular formula C29H28ClF3N4O3 and a molecular weight of 573.02 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
PubChem CID54833308
Molecular FormulaC29H28ClF3N4O3
Molecular Weight573.02 g/mol
Exact Mass572.18
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C29H28ClF3N4O3/c30-25-13-12-21(16-24(25)28(40)36-20-8-2-1-3-9-20)34-17-26(38)35-22-10-4-6-18(14-22)27(39)37-23-11-5-7-19(15-23)29(31,32)33/h4-7,10-16,20,34H,1-3,8-9,17H2,(H,35,38)(H,36,40)(H,37,39)
InChIKeyXSKFCRBJRLNMHP-UHFFFAOYSA-N
XLogP6.72
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.02
LogP ≤ 56.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide with MolForge

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Related Compounds

5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
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-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
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-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844350
3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide (CID 54833308) is 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide is O=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide?
The InChIKey is XSKFCRBJRLNMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O3/c30-25-13-12-21(16-24(25)28(40)36-20-8-2-1-3-9-20)34-17-26(38)35-22-10-4-6-18(14-22)27(39)37-23-11-5-7-19(15-23)29(31,32)33/h4-7,10-16,20,34H,1-3,8-9,17H2,(H,35,38)(H,36,40)(H,37,39).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide has a molecular weight of 573.02 g/mol, XLogP of 6.72, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54833308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).