2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide

C20H18Cl4N2O2 — CID 2165949

IUPAC2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H18Cl4N2O2/c21-11-1-7-17(23)15(9-11)19(27)25-13-3-5-14(6-4-13)26-20(28)16-10-12(22)2-8-18(16)24/h1-2,7-10,13-14H,3-6H2,(H,25,27)(H,26,28)
InChIKeyAWZGNKRORULWRY-UHFFFAOYSA-N
MW460.19 g/mol
LogP5.77
Rot. Bonds4

About 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide

2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide (PubChem CID 2165949) has the molecular formula C20H18Cl4N2O2 and a molecular weight of 460.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
PubChem CID2165949
Molecular FormulaC20H18Cl4N2O2
Molecular Weight460.19 g/mol
Exact Mass458.01
IUPAC Name2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H18Cl4N2O2/c21-11-1-7-17(23)15(9-11)19(27)25-13-3-5-14(6-4-13)26-20(28)16-10-12(22)2-8-18(16)24/h1-2,7-10,13-14H,3-6H2,(H,25,27)(H,26,28)
InChIKeyAWZGNKRORULWRY-UHFFFAOYSA-N
XLogP5.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.19
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide (CID 2165949) is 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide is O=C(NC1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide?
The InChIKey is AWZGNKRORULWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl4N2O2/c21-11-1-7-17(23)15(9-11)19(27)25-13-3-5-14(6-4-13)26-20(28)16-10-12(22)2-8-18(16)24/h1-2,7-10,13-14H,3-6H2,(H,25,27)(H,26,28).
What are the key properties of 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide?
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide has a molecular weight of 460.19 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 2165949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).