N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide

C16H21ClN2O2 — CID 108957492

IUPACN-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide
SMILESCc1cc(C)c(NC(=O)C(C)(C)C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-9-7-10(2)13(12(17)8-9)19-15(21)16(3,4)14(20)18-11-5-6-11/h7-8,11H,5-6H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyYJXGYZRATLGITG-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.20
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide

N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide (PubChem CID 108957492) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide
PubChem CID108957492
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide
SMILESCc1cc(C)c(NC(=O)C(C)(C)C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-9-7-10(2)13(12(17)8-9)19-15(21)16(3,4)14(20)18-11-5-6-11/h7-8,11H,5-6H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyYJXGYZRATLGITG-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
CID 108993493
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
CID 109132479
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113251859
N-(2-chloro-4,6-dimethylphenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961418
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
tert-butyl N-[1-[1-(2-chloro-4,6-dimethylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60512452
N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108506923
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
CID 108988438
2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 42125339
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 42908083
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide (CID 108957492) is N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide is Cc1cc(C)c(NC(=O)C(C)(C)C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide?
The InChIKey is YJXGYZRATLGITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-9-7-10(2)13(12(17)8-9)19-15(21)16(3,4)14(20)18-11-5-6-11/h7-8,11H,5-6H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide?
N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide has a molecular weight of 308.81 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).