2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide

C22H26ClN3O3 — CID 54833298

IUPAC2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-29-18-10-7-16(8-11-18)25-21(27)14-24-17-9-12-20(23)19(13-17)22(28)26-15-5-3-2-4-6-15/h7-13,15,24H,2-6,14H2,1H3,(H,25,27)(H,26,28)
InChIKeySYAXQGUHTADTTR-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.46
Rot. Bonds7

About 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54833298) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
PubChem CID54833298
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-29-18-10-7-16(8-11-18)25-21(27)14-24-17-9-12-20(23)19(13-17)22(28)26-15-5-3-2-4-6-15/h7-13,15,24H,2-6,14H2,1H3,(H,25,27)(H,26,28)
InChIKeySYAXQGUHTADTTR-UHFFFAOYSA-N
XLogP4.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187
2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833128
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54833273
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-N-cyclohexyl-5-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzamide
CID 17188698
2-chloro-N-cyclohexyl-5-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide (CID 54833298) is 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide is COc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is SYAXQGUHTADTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-29-18-10-7-16(8-11-18)25-21(27)14-24-17-9-12-20(23)19(13-17)22(28)26-15-5-3-2-4-6-15/h7-13,15,24H,2-6,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 415.92 g/mol, XLogP of 4.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54833298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).