2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide

C21H23ClN2O3 — CID 109142425

IUPAC2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H23ClN2O3/c1-11-7-12(2)19(13(3)8-11)24-21(26)16-10-15(16)20(25)23-17-9-14(22)5-6-18(17)27-4/h5-9,15-16H,10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySKRKIPZSXHQPLE-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.49
Rot. Bonds5

About 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142425) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142425
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H23ClN2O3/c1-11-7-12(2)19(13(3)8-11)24-21(26)16-10-15(16)20(25)23-17-9-14(22)5-6-18(17)27-4/h5-9,15-16H,10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySKRKIPZSXHQPLE-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

1-N-(5-chloro-2-methoxyphenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141518
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
1-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142084
2-N-(3-chloro-4-methoxyphenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143096
2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135673
1-N-(5-chloro-2-methoxyphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138227
methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142444
6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4744696
cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
CID 158550362
2-N-[2-(4-chlorophenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138633

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142425) is 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(Cl)cc1NC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is SKRKIPZSXHQPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-11-7-12(2)19(13(3)8-11)24-21(26)16-10-15(16)20(25)23-17-9-14(22)5-6-18(17)27-4/h5-9,15-16H,10H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).