3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C24H27Cl2N3O4 — CID 4016801

IUPAC3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(C(=O)c2cc(Cl)cc(Cl)c2)C2CCCCC2)cc1
InChIInChI=1S/C24H27Cl2N3O4/c1-33-21-9-7-19(8-10-21)28-22(30)14-27-23(31)15-29(20-5-3-2-4-6-20)24(32)16-11-17(25)13-18(26)12-16/h7-13,20H,2-6,14-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyGPZIABYBTTZZSL-UHFFFAOYSA-N
MW492.40 g/mol
LogP4.53
Rot. Bonds8

About 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4016801) has the molecular formula C24H27Cl2N3O4 and a molecular weight of 492.40 g/mol. Its IUPAC name is 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID4016801
Molecular FormulaC24H27Cl2N3O4
Molecular Weight492.40 g/mol
Exact Mass491.14
IUPAC Name3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(C(=O)c2cc(Cl)cc(Cl)c2)C2CCCCC2)cc1
InChIInChI=1S/C24H27Cl2N3O4/c1-33-21-9-7-19(8-10-21)28-22(30)14-27-23(31)15-29(20-5-3-2-4-6-20)24(32)16-11-17(25)13-18(26)12-16/h7-13,20H,2-6,14-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyGPZIABYBTTZZSL-UHFFFAOYSA-N
XLogP4.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 42770719
2-[[2-[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 42770718
2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 5087238
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930
3,5-dichloro-N-cyclohexyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4291757
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 18087279
N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4623937
4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4601773
cyclopropyl-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 7297720
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 4016801) is 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)CN(C(=O)c2cc(Cl)cc(Cl)c2)C2CCCCC2)cc1.
What is the InChIKey of 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is GPZIABYBTTZZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O4/c1-33-21-9-7-19(8-10-21)28-22(30)14-27-23(31)15-29(20-5-3-2-4-6-20)24(32)16-11-17(25)13-18(26)12-16/h7-13,20H,2-6,14-15H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 492.40 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4016801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).