2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide

C21H22Cl3N3O2 — CID 54819816

IUPAC2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
SMILESO=C(CNc1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H22Cl3N3O2/c22-13-6-8-18(24)19(10-13)25-12-20(28)26-15-7-9-17(23)16(11-15)21(29)27-14-4-2-1-3-5-14/h6-11,14,25H,1-5,12H2,(H,26,28)(H,27,29)
InChIKeyLXJZXLMDWADHTC-UHFFFAOYSA-N
MW454.79 g/mol
LogP5.76
Rot. Bonds6

About 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide (PubChem CID 54819816) has the molecular formula C21H22Cl3N3O2 and a molecular weight of 454.79 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
PubChem CID54819816
Molecular FormulaC21H22Cl3N3O2
Molecular Weight454.79 g/mol
Exact Mass453.08
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
SMILESO=C(CNc1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H22Cl3N3O2/c22-13-6-8-18(24)19(10-13)25-12-20(28)26-15-7-9-17(23)16(11-15)21(29)27-14-4-2-1-3-5-14/h6-11,14,25H,1-5,12H2,(H,26,28)(H,27,29)
InChIKeyLXJZXLMDWADHTC-UHFFFAOYSA-N
XLogP5.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.79
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824326
2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54827792
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
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54828074
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-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide (CID 54819816) is 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide is O=C(CNc1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide?
The InChIKey is LXJZXLMDWADHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl3N3O2/c22-13-6-8-18(24)19(10-13)25-12-20(28)26-15-7-9-17(23)16(11-15)21(29)27-14-4-2-1-3-5-14/h6-11,14,25H,1-5,12H2,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide has a molecular weight of 454.79 g/mol, XLogP of 5.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54819816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).