2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide

C16H21ClN2O2 — CID 109131432

IUPAC2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)CNC(=O)C1CC1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-10(2)8-18-15(20)12-7-13(12)16(21)19-9-11-5-3-4-6-14(11)17/h3-6,10,12-13H,7-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZOUAPLHBOMIXTM-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.36
Rot. Bonds6

About 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide

2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131432) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131432
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)CNC(=O)C1CC1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-10(2)8-18-15(20)12-7-13(12)16(21)19-9-11-5-3-4-6-14(11)17/h3-6,10,12-13H,7-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZOUAPLHBOMIXTM-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-chlorophenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130448
1-N-(2,6-dichlorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131584
2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136243
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136180
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
CID 7334869
2-N-[(2-chlorophenyl)methyl]-1-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136278
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136195
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide (CID 109131432) is 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide is CC(C)CNC(=O)C1CC1C(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is ZOUAPLHBOMIXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-10(2)8-18-15(20)12-7-13(12)16(21)19-9-11-5-3-4-6-14(11)17/h3-6,10,12-13H,7-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide?
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).