phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate

C13H8BrClFNO2 — CID 166590808

IUPACphenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
SMILESO=C(Nc1cc(Br)c(Cl)cc1F)Oc1ccccc1
InChIInChI=1S/C13H8BrClFNO2/c14-9-6-12(11(16)7-10(9)15)17-13(18)19-8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyOKKFUPLLRCKCOW-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.85
Rot. Bonds2

About phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate

phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate (PubChem CID 166590808) has the molecular formula C13H8BrClFNO2 and a molecular weight of 344.57 g/mol. Its IUPAC name is phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
PubChem CID166590808
Molecular FormulaC13H8BrClFNO2
Molecular Weight344.57 g/mol
Exact Mass342.94
IUPAC Namephenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
SMILESO=C(Nc1cc(Br)c(Cl)cc1F)Oc1ccccc1
InChIInChI=1S/C13H8BrClFNO2/c14-9-6-12(11(16)7-10(9)15)17-13(18)19-8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyOKKFUPLLRCKCOW-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 18615647
4-chloro-2-fluoro-5-methylaniline;phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 70115366
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
phenyl N-(2,3,5-trifluorophenyl)carbamate
CID 64592474
phenyl N-(2-bromo-4-methylphenyl)carbamate
CID 3453949
phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164583961
phenyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
CID 18615646
phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
CID 164584343
phenyl N-(2,6-difluorophenyl)carbamate
CID 60631299
3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
CID 82811858
phenyl N-[4-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-2-fluorophenyl]carbamate
CID 166090543

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate?
The IUPAC name of phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate (CID 166590808) is phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate.
What is the SMILES notation for phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate?
The canonical SMILES for phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate is O=C(Nc1cc(Br)c(Cl)cc1F)Oc1ccccc1.
What is the InChIKey of phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate?
The InChIKey is OKKFUPLLRCKCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO2/c14-9-6-12(11(16)7-10(9)15)17-13(18)19-8-4-2-1-3-5-8/h1-7H,(H,17,18).
What are the key properties of phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate?
phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate has a molecular weight of 344.57 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate is sourced from PubChem (CID 166590808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).