2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide

C15H19Cl2NO — CID 51297991

IUPAC2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C15H19Cl2NO/c1-9(2)11-7-5-6-10(3)12(11)18-13(19)14(4)8-15(14,16)17/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKeyJCKIBQCSZYVYGN-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.64
Rot. Bonds3

About 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 51297991) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID51297991
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C15H19Cl2NO/c1-9(2)11-7-5-6-10(3)12(11)18-13(19)14(4)8-15(14,16)17/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKeyJCKIBQCSZYVYGN-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 65465254
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51164492
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80592389
1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982167
1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215098
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976096
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
4-(2-methyl-6-propan-2-ylanilino)-4-oxobut-2-enoic acid
CID 1415900
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 51297991) is 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C(C)C)c1NC(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JCKIBQCSZYVYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-9(2)11-7-5-6-10(3)12(11)18-13(19)14(4)8-15(14,16)17/h5-7,9H,8H2,1-4H3,(H,18,19).
What are the key properties of 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 300.23 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51297991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).