2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide

C20H21ClN2O3 — CID 109136241

IUPAC2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-12-7-8-18(26-2)17(9-12)23-20(25)15-10-14(15)19(24)22-11-13-5-3-4-6-16(13)21/h3-9,14-15H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHNUDWOHZUGCKRG-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.55
Rot. Bonds6

About 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109136241) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109136241
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-12-7-8-18(26-2)17(9-12)23-20(25)15-10-14(15)19(24)22-11-13-5-3-4-6-16(13)21/h3-9,14-15H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHNUDWOHZUGCKRG-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,3-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136513
4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148040
1-N-(2,5-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136510
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
1-N-(5-chloro-2-methoxyphenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141518
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135826
1-N-(2-methoxy-5-methylphenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142370
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
1-N-(2,4-difluorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136506
1-N-[(2-chlorophenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130448

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109136241) is 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(C)cc1NC(=O)C1CC1C(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is HNUDWOHZUGCKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12-7-8-18(26-2)17(9-12)23-20(25)15-10-14(15)19(24)22-11-13-5-3-4-6-16(13)21/h3-9,14-15H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.55, 6 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-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).