[2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate

C19H22Br2Cl2N2O3 — CID 4183003

IUPAC[2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate
SMILESCC(C)(COC(=O)Nc1ccc(Br)cc1Br)NC(=O)C1C(C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C19H22Br2Cl2N2O3/c1-18(2,25-16(26)15-11(8-14(22)23)19(15,3)4)9-28-17(27)24-13-6-5-10(20)7-12(13)21/h5-8,11,15H,9H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyBMWJFRJXNFXUOY-UHFFFAOYSA-N
MW557.11 g/mol
LogP6.25
Rot. Bonds6

About [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate

[2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate (PubChem CID 4183003) has the molecular formula C19H22Br2Cl2N2O3 and a molecular weight of 557.11 g/mol. Its IUPAC name is [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate.

Molecular Properties

Compound Name[2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate
PubChem CID4183003
Molecular FormulaC19H22Br2Cl2N2O3
Molecular Weight557.11 g/mol
Exact Mass553.94
IUPAC Name[2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate
SMILESCC(C)(COC(=O)Nc1ccc(Br)cc1Br)NC(=O)C1C(C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C19H22Br2Cl2N2O3/c1-18(2,25-16(26)15-11(8-14(22)23)19(15,3)4)9-28-17(27)24-13-6-5-10(20)7-12(13)21/h5-8,11,15H,9H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyBMWJFRJXNFXUOY-UHFFFAOYSA-N
XLogP6.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.11
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate
CID 3115347
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
trans-(1S,3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1115926
cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 677652
cis-(1S,3R)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678124
3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 4021409
(2-bromo-6-chlorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 23469028
(3-bromo-2,6-dimethylphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 13135245
[(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate
CID 51064340
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
CID 65173773

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate?
The IUPAC name of [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate (CID 4183003) is [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate.
What is the SMILES notation for [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate?
The canonical SMILES for [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate is CC(C)(COC(=O)Nc1ccc(Br)cc1Br)NC(=O)C1C(C=C(Cl)Cl)C1(C)C.
What is the InChIKey of [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate?
The InChIKey is BMWJFRJXNFXUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2Cl2N2O3/c1-18(2,25-16(26)15-11(8-14(22)23)19(15,3)4)9-28-17(27)24-13-6-5-10(20)7-12(13)21/h5-8,11,15H,9H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate?
[2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate has a molecular weight of 557.11 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate is sourced from PubChem (CID 4183003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).