(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate

C8H8ClFN2O2 — CID 164648951

IUPAC(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)c(Cl)cc1N
InChIInChI=1S/C8H8ClFN2O2/c1-12-8(13)14-7-3-5(10)4(9)2-6(7)11/h2-3H,11H2,1H3,(H,12,13)
InChIKeyIZVUWBFMIPVCSF-UHFFFAOYSA-N
MW218.62 g/mol
LogP1.78
Rot. Bonds1

About (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate

(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate (PubChem CID 164648951) has the molecular formula C8H8ClFN2O2 and a molecular weight of 218.62 g/mol. Its IUPAC name is (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
PubChem CID164648951
Molecular FormulaC8H8ClFN2O2
Molecular Weight218.62 g/mol
Exact Mass218.03
IUPAC Name(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)c(Cl)cc1N
InChIInChI=1S/C8H8ClFN2O2/c1-12-8(13)14-7-3-5(10)4(9)2-6(7)11/h2-3H,11H2,1H3,(H,12,13)
InChIKeyIZVUWBFMIPVCSF-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.62
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide
CID 66077328
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
CID 172729732
(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
CID 155696614
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
CID 66079546
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
5-chloro-2-[3-(dimethylamino)propoxy]-4-fluoroaniline
CID 66078492
2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
CID 19763734
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
tert-butyl N-[2-(2-amino-4-chloro-5-fluoroanilino)ethyl]carbamate
CID 114517992
ethyl 2-(2-amino-4-chloro-5-fluoroanilino)acetate
CID 66079161
5-chloro-2-(2,5-dibromo-4-methoxyphenoxy)-4-fluoroaniline
CID 79416403

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate?
The IUPAC name of (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate (CID 164648951) is (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate.
What is the SMILES notation for (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate?
The canonical SMILES for (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate is CNC(=O)Oc1cc(F)c(Cl)cc1N.
What is the InChIKey of (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate?
The InChIKey is IZVUWBFMIPVCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O2/c1-12-8(13)14-7-3-5(10)4(9)2-6(7)11/h2-3H,11H2,1H3,(H,12,13).
What are the key properties of (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate?
(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate has a molecular weight of 218.62 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate is sourced from PubChem (CID 164648951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).