methyl N-(2,5-dichlorophenoxy)carbamate

C8H7Cl2NO3 — CID 14391361

IUPACmethyl N-(2,5-dichlorophenoxy)carbamate
SMILESCOC(=O)NOc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-13-8(12)11-14-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyHUKDYTLCPXJAEZ-UHFFFAOYSA-N
MW236.05 g/mol
LogP2.64
Rot. Bonds2

About methyl N-(2,5-dichlorophenoxy)carbamate

methyl N-(2,5-dichlorophenoxy)carbamate (PubChem CID 14391361) has the molecular formula C8H7Cl2NO3 and a molecular weight of 236.05 g/mol. Its IUPAC name is methyl N-(2,5-dichlorophenoxy)carbamate.

Molecular Properties

Compound Namemethyl N-(2,5-dichlorophenoxy)carbamate
PubChem CID14391361
Molecular FormulaC8H7Cl2NO3
Molecular Weight236.05 g/mol
Exact Mass234.98
IUPAC Namemethyl N-(2,5-dichlorophenoxy)carbamate
SMILESCOC(=O)NOc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-13-8(12)11-14-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyHUKDYTLCPXJAEZ-UHFFFAOYSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(5-acetyl-2-chlorophenoxy)carbamate;methyl N-(5-acetyl-2-chlorophenoxy)carbamate
CID 157292901
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
CID 116820903
(2,5-dichlorophenyl) ethaneperoxoate
CID 87566974
methyl 2-(2,5-dichlorophenoxy)hexanoate
CID 113373433
(2,5-dichlorophenyl) 2-ethylbutanoate
CID 91695920
methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate
CID 90848648
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 39846904
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,5-dichlorophenoxy)carbamate?
The IUPAC name of methyl N-(2,5-dichlorophenoxy)carbamate (CID 14391361) is methyl N-(2,5-dichlorophenoxy)carbamate.
What is the SMILES notation for methyl N-(2,5-dichlorophenoxy)carbamate?
The canonical SMILES for methyl N-(2,5-dichlorophenoxy)carbamate is COC(=O)NOc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl N-(2,5-dichlorophenoxy)carbamate?
The InChIKey is HUKDYTLCPXJAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3/c1-13-8(12)11-14-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H,11,12).
What are the key properties of methyl N-(2,5-dichlorophenoxy)carbamate?
methyl N-(2,5-dichlorophenoxy)carbamate has a molecular weight of 236.05 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,5-dichlorophenoxy)carbamate is sourced from PubChem (CID 14391361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).