methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate

C13H13Cl4NO3 — CID 154132956

IUPACmethyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1cc(Cl)c(OCC2(C)CC2(Cl)Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl4NO3/c1-12(5-13(12,16)17)6-21-10-8(14)3-7(4-9(10)15)18-11(19)20-2/h3-4H,5-6H2,1-2H3,(H,18,19)
InChIKeyDUCNKOKNCGHHIR-UHFFFAOYSA-N
MW373.06 g/mol
LogP5.13
Rot. Bonds4

About methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate

methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate (PubChem CID 154132956) has the molecular formula C13H13Cl4NO3 and a molecular weight of 373.06 g/mol. Its IUPAC name is methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate
PubChem CID154132956
Molecular FormulaC13H13Cl4NO3
Molecular Weight373.06 g/mol
Exact Mass370.96
IUPAC Namemethyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1cc(Cl)c(OCC2(C)CC2(Cl)Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl4NO3/c1-12(5-13(12,16)17)6-21-10-8(14)3-7(4-9(10)15)18-11(19)20-2/h3-4H,5-6H2,1-2H3,(H,18,19)
InChIKeyDUCNKOKNCGHHIR-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.06
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303966
methyl N-[5-(but-3-en-2-yloxycarbonylamino)-3-chloro-2-ethoxyphenyl]carbamate
CID 13421313
1-[[3,5-dichloro-4-(2-methoxyethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088694
[2-(3,4-dichloroanilino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619060
N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
methyl N-(3,5-diethylphenyl)carbamate
CID 13150461
2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate
CID 20516696
N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide
CID 13343257
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561

Frequently Asked Questions

What is the IUPAC name of methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate (CID 154132956) is methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate is COC(=O)Nc1cc(Cl)c(OCC2(C)CC2(Cl)Cl)c(Cl)c1.
What is the InChIKey of methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate?
The InChIKey is DUCNKOKNCGHHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl4NO3/c1-12(5-13(12,16)17)6-21-10-8(14)3-7(4-9(10)15)18-11(19)20-2/h3-4H,5-6H2,1-2H3,(H,18,19).
What are the key properties of methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate?
methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate has a molecular weight of 373.06 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3,5-dichloro-4-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 154132956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).