1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide

C18H24ClN3O3 — CID 55820592

IUPAC1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)N(C)CC(=O)Nc2ccccc2Cl)CCCCC1
InChIInChI=1S/C18H24ClN3O3/c1-13(23)21-18(10-6-3-7-11-18)17(25)22(2)12-16(24)20-15-9-5-4-8-14(15)19/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyPGTQOWRAIGRGKK-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.58
Rot. Bonds5

About 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide

1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 55820592) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
PubChem CID55820592
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)N(C)CC(=O)Nc2ccccc2Cl)CCCCC1
InChIInChI=1S/C18H24ClN3O3/c1-13(23)21-18(10-6-3-7-11-18)17(25)22(2)12-16(24)20-15-9-5-4-8-14(15)19/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyPGTQOWRAIGRGKK-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 31971501
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 38635337
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717375
2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
CID 104677439
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606885
N-(2-chlorophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65123307
N-(2-chlorophenyl)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-methylamino]acetamide
CID 17461832
(2S)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
CID 38632443
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide
CID 26539561

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide (CID 55820592) is 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide is CC(=O)NC1(C(=O)N(C)CC(=O)Nc2ccccc2Cl)CCCCC1.
What is the InChIKey of 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is PGTQOWRAIGRGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-13(23)21-18(10-6-3-7-11-18)17(25)22(2)12-16(24)20-15-9-5-4-8-14(15)19/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 55820592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).