1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide

C17H23ClN2O3 — CID 109131780

IUPAC1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C17H23ClN2O3/c1-5-10(3)19-16(21)11-7-12(11)17(22)20-14-6-9(2)13(18)8-15(14)23-4/h6,8,10-12H,5,7H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyDJOIIHRCAVRRAC-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.15
Rot. Bonds6

About 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide

1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131780) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131780
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C17H23ClN2O3/c1-5-10(3)19-16(21)11-7-12(11)17(22)20-14-6-9(2)13(18)8-15(14)23-4/h6,8,10-12H,5,7H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyDJOIIHRCAVRRAC-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130803
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
1-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141972
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131692
(1S,6S)-6-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 39729016
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131782
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526393
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141479

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109131780) is 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide is CCC(C)NC(=O)C1CC1C(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is DJOIIHRCAVRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-5-10(3)19-16(21)11-7-12(11)17(22)20-14-6-9(2)13(18)8-15(14)23-4/h6,8,10-12H,5,7H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 338.84 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).