[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate

C18H22Cl2N2O4 — CID 9067618

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N2O4/c19-12-6-7-15(14(20)10-12)22-17(24)11-26-18(25)9-8-16(23)21-13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyKCTLPVSBXPBZRE-UHFFFAOYSA-N
MW401.29 g/mol
LogP3.70
Rot. Bonds7

About [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate

[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate (PubChem CID 9067618) has the molecular formula C18H22Cl2N2O4 and a molecular weight of 401.29 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
PubChem CID9067618
Molecular FormulaC18H22Cl2N2O4
Molecular Weight401.29 g/mol
Exact Mass400.10
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N2O4/c19-12-6-7-15(14(20)10-12)22-17(24)11-26-18(25)9-8-16(23)21-13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyKCTLPVSBXPBZRE-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate with MolForge

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Related Compounds

[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 17258306
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067614
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
2-(cyclohexylcarbamoylamino)-N-(2,4-dichlorophenyl)acetamide
CID 113001281
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3970402
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 4516239
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate (CID 9067618) is [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate is O=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The InChIKey is KCTLPVSBXPBZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O4/c19-12-6-7-15(14(20)10-12)22-17(24)11-26-18(25)9-8-16(23)21-13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H,21,23)(H,22,24).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate has a molecular weight of 401.29 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate is sourced from PubChem (CID 9067618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).