2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide

C16H21ClN2O3 — CID 109130803

IUPAC2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CC1C(=O)NC(C)C
InChIInChI=1S/C16H21ClN2O3/c1-8(2)18-15(20)10-6-11(10)16(21)19-13-5-9(3)12(17)7-14(13)22-4/h5,7-8,10-11H,6H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyDJTGAJJGQATYOY-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.76
Rot. Bonds5

About 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide

2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109130803) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
PubChem CID109130803
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CC1C(=O)NC(C)C
InChIInChI=1S/C16H21ClN2O3/c1-8(2)18-15(20)10-6-11(10)16(21)19-13-5-9(3)12(17)7-14(13)22-4/h5,7-8,10-11H,6H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyDJTGAJJGQATYOY-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131780
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
(1S,6S)-6-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 39729016
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
(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
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
2-N-(2,4-dichlorophenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130797
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141479
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide (CID 109130803) is 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1CC1C(=O)NC(C)C.
What is the InChIKey of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is DJTGAJJGQATYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-8(2)18-15(20)10-6-11(10)16(21)19-13-5-9(3)12(17)7-14(13)22-4/h5,7-8,10-11H,6H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109130803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).