2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

C21H23ClN2O3 — CID 109136243

IUPAC2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O3/c1-13(2)27-16-9-7-15(8-10-16)24-21(26)18-11-17(18)20(25)23-12-14-5-3-4-6-19(14)22/h3-10,13,17-18H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRSXHAHUEPFWTSO-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.02
Rot. Bonds7

About 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109136243) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109136243
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O3/c1-13(2)27-16-9-7-15(8-10-16)24-21(26)18-11-17(18)20(25)23-12-14-5-3-4-6-19(14)22/h3-10,13,17-18H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRSXHAHUEPFWTSO-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108946631
1-[(2-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100606891
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131432
2-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55748842
2-N-[(2-chlorophenyl)methyl]-1-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136278
1-N-[(2-chlorophenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130448
1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135235
1-N,1-N-diethyl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139348
2-(piperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109132303
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143641
1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139859

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109136243) is 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is CC(C)Oc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RSXHAHUEPFWTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-13(2)27-16-9-7-15(8-10-16)24-21(26)18-11-17(18)20(25)23-12-14-5-3-4-6-19(14)22/h3-10,13,17-18H,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).