2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide

C16H21ClN2O2 — CID 109131326

IUPAC2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H21ClN2O2/c1-3-4-8-18-15(20)11-9-12(11)16(21)19-14-7-5-6-13(17)10(14)2/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIAHWGTDWBRYIQZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.14
Rot. Bonds6

About 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide

2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131326) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131326
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H21ClN2O2/c1-3-4-8-18-15(20)11-9-12(11)16(21)19-14-7-5-6-13(17)10(14)2/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIAHWGTDWBRYIQZ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131309
4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149844
1-N-(3-chloro-2-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137850
1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135371
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143029
2-N-(3-chloro-2-methylphenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143030
1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137094
1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139494
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
2-N-(3-chloro-2-methylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141236
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109131326) is 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide is CCCCNC(=O)C1CC1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is IAHWGTDWBRYIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-3-4-8-18-15(20)11-9-12(11)16(21)19-14-7-5-6-13(17)10(14)2/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 308.81 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).