2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide

C20H23Cl2N3O2 — CID 68544319

IUPAC2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide
SMILESCOc1cccc(NCC2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)n1
InChIInChI=1S/C20H23Cl2N3O2/c1-27-19-4-2-3-18(25-19)23-12-13-5-8-15(9-6-13)24-20(26)16-11-14(21)7-10-17(16)22/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyXIAQWRZXEBSIHO-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.80
Rot. Bonds6

About 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide

2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide (PubChem CID 68544319) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide
PubChem CID68544319
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide
SMILESCOc1cccc(NCC2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)n1
InChIInChI=1S/C20H23Cl2N3O2/c1-27-19-4-2-3-18(25-19)23-12-13-5-8-15(9-6-13)24-20(26)16-11-14(21)7-10-17(16)22/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyXIAQWRZXEBSIHO-UHFFFAOYSA-N
XLogP4.80
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2,5-dichloro-N-[4-[[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]methyl]cyclohexyl]benzamide
CID 57465887
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide
CID 143937089
2-chloro-N-[4-[[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]methyl]cyclohexyl]-5-methylbenzamide
CID 58317388
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
5-chloro-2-methyl-N-[4-[(pyrimidin-2-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide
CID 44814574
2-chloro-5-(trifluoromethyl)-N-[4-[[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]cyclohexyl]benzamide
CID 58317319
2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186810
2-chloro-N-[4-[[[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186857

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide (CID 68544319) is 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide is COc1cccc(NCC2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)n1.
What is the InChIKey of 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide?
The InChIKey is XIAQWRZXEBSIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-27-19-4-2-3-18(25-19)23-12-13-5-8-15(9-6-13)24-20(26)16-11-14(21)7-10-17(16)22/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide?
2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide has a molecular weight of 408.33 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 68544319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).