1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide

C21H23ClN2O3 — CID 109137853

IUPAC1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H23ClN2O3/c1-13-7-8-15(11-18(13)22)24-21(26)17-12-16(17)20(25)23-10-9-14-5-3-4-6-19(14)27-2/h3-8,11,16-17H,9-10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBAUZBUMZYBBNGL-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.59
Rot. Bonds7

About 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109137853) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109137853
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H23ClN2O3/c1-13-7-8-15(11-18(13)22)24-21(26)17-12-16(17)20(25)23-10-9-14-5-3-4-6-19(14)27-2/h3-8,11,16-17H,9-10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBAUZBUMZYBBNGL-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137840
1-N-(3-chloro-2-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137850
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137754
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132844
1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217307
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283
1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136942
2-N-[2-(2-methoxyphenyl)ethyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109137819

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109137853) is 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide is COc1ccccc1CCNC(=O)C1CC1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is BAUZBUMZYBBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-13-7-8-15(11-18(13)22)24-21(26)17-12-16(17)20(25)23-10-9-14-5-3-4-6-19(14)27-2/h3-8,11,16-17H,9-10,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).