1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

C17H23ClN2O2 — CID 108979784

IUPAC1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H23ClN2O2/c1-3-4-5-11-19-15(21)17(9-10-17)16(22)20-14-8-6-7-13(18)12(14)2/h6-8H,3-5,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXTOWYVOBNMTVDT-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.67
Rot. Bonds7

About 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979784) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979784
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H23ClN2O2/c1-3-4-5-11-19-15(21)17(9-10-17)16(22)20-14-8-6-7-13(18)12(14)2/h6-8H,3-5,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXTOWYVOBNMTVDT-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973822
1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982670
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149844
1-N'-(3-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974651
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506
methyl 2-[[1-(pentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108979812
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
1-(3-chloro-2-methylphenyl)-3-dodecylthiourea
CID 19651379

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979784) is 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is XTOWYVOBNMTVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-3-4-5-11-19-15(21)17(9-10-17)16(22)20-14-8-6-7-13(18)12(14)2/h6-8H,3-5,9-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).