2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate

C19H24Cl2N2O3 — CID 3115347

IUPAC2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate
SMILESCc1ccc(C)c(NC(=O)OCCNC(=O)C2C(C=C(Cl)Cl)C2(C)C)c1
InChIInChI=1S/C19H24Cl2N2O3/c1-11-5-6-12(2)14(9-11)23-18(25)26-8-7-22-17(24)16-13(10-15(20)21)19(16,3)4/h5-6,9-10,13,16H,7-8H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyCNAINYWIMFQXLD-UHFFFAOYSA-N
MW399.32 g/mol
LogP4.56
Rot. Bonds6

About 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate

2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate (PubChem CID 3115347) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate.

Molecular Properties

Compound Name2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate
PubChem CID3115347
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC Name2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate
SMILESCc1ccc(C)c(NC(=O)OCCNC(=O)C2C(C=C(Cl)Cl)C2(C)C)c1
InChIInChI=1S/C19H24Cl2N2O3/c1-11-5-6-12(2)14(9-11)23-18(25)26-8-7-22-17(24)16-13(10-15(20)21)19(16,3)4/h5-6,9-10,13,16H,7-8H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyCNAINYWIMFQXLD-UHFFFAOYSA-N
XLogP4.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-naphthalen-1-ylcarbamate
CID 2249290
2-[[(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-naphthalen-1-ylcarbamate
CID 2249292
N-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42923994
cis-(1R,3R)-N-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 27146525
[2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-2-methylpropyl] N-(2,4-dibromophenyl)carbamate
CID 4183003
bis(trans-(1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-N-(2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide);trans-(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-N-(2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 139076764
trans-(1S,3S)-3-(2,2-dichloroethenyl)-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 2181553
N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 11393458
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 679853
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-phenylcyclopropane-1-carboxamide
CID 677691
2-azidoethyl N-[3-(2-azidoethoxycarbonylamino)-4-methylphenyl]carbamate
CID 90222016
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate?
The IUPAC name of 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate (CID 3115347) is 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate.
What is the SMILES notation for 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate?
The canonical SMILES for 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate is Cc1ccc(C)c(NC(=O)OCCNC(=O)C2C(C=C(Cl)Cl)C2(C)C)c1.
What is the InChIKey of 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate?
The InChIKey is CNAINYWIMFQXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O3/c1-11-5-6-12(2)14(9-11)23-18(25)26-8-7-22-17(24)16-13(10-15(20)21)19(16,3)4/h5-6,9-10,13,16H,7-8H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate?
2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-(2,5-dimethylphenyl)carbamate has a molecular weight of 399.32 g/mol, XLogP of 4.56, 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]ethyl N-(2,5-dimethylphenyl)carbamate is sourced from PubChem (CID 3115347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).