ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate

C10H10ClFN2O4 — CID 134109429

IUPACethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1c(F)cc(Cl)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H10ClFN2O4/c1-3-18-10(15)13-8-7(12)4-6(11)5(2)9(8)14(16)17/h4H,3H2,1-2H3,(H,13,15)
InChIKeyCAVIWWSJESEURC-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.26
Rot. Bonds3

About ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate

ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate (PubChem CID 134109429) has the molecular formula C10H10ClFN2O4 and a molecular weight of 276.65 g/mol. Its IUPAC name is ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
PubChem CID134109429
Molecular FormulaC10H10ClFN2O4
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC Nameethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1c(F)cc(Cl)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H10ClFN2O4/c1-3-18-10(15)13-8-7(12)4-6(11)5(2)9(8)14(16)17/h4H,3H2,1-2H3,(H,13,15)
InChIKeyCAVIWWSJESEURC-UHFFFAOYSA-N
XLogP3.26
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(4-chloro-2,6-difluoro-3-nitrophenyl)carbamate
CID 18315089
phenyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
CID 18615646
ethyl N-(3,4-dimethyl-2,6-dinitrophenyl)carbamate
CID 23335980
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
ethyl N-(4-chloro-2-fluoro-5-sulfanylphenyl)carbamate
CID 139638488
ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate
CID 18916408
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
ethyl N-(4,6-dimethyl-8-nitro-2-oxochromen-7-yl)carbamate
CID 14690250
ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate
CID 54000840
ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
CID 130542983
(4-chloro-2-fluoro-5-nitrophenyl) ethyl carbonate
CID 154694360

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate?
The IUPAC name of ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate (CID 134109429) is ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate.
What is the SMILES notation for ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate?
The canonical SMILES for ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate is CCOC(=O)Nc1c(F)cc(Cl)c(C)c1[N+](=O)[O-].
What is the InChIKey of ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate?
The InChIKey is CAVIWWSJESEURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O4/c1-3-18-10(15)13-8-7(12)4-6(11)5(2)9(8)14(16)17/h4H,3H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate?
ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate has a molecular weight of 276.65 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate is sourced from PubChem (CID 134109429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).