4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide

C21H23ClN2O3 — CID 109150938

IUPAC4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-9-5-4-8-18(19)24-21(26)15-12-10-14(11-13-15)20(25)23-17-7-3-2-6-16(17)22/h2-9,14-15H,10-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyLYRWSBVVHCLFTH-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.73
Rot. Bonds5

About 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide

4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150938) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150938
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-9-5-4-8-18(19)24-21(26)15-12-10-14(11-13-15)20(25)23-17-7-3-2-6-16(17)22/h2-9,14-15H,10-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyLYRWSBVVHCLFTH-UHFFFAOYSA-N
XLogP4.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109150938) is 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide is COc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is LYRWSBVVHCLFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-19-9-5-4-8-18(19)24-21(26)15-12-10-14(11-13-15)20(25)23-17-7-3-2-6-16(17)22/h2-9,14-15H,10-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).