methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate

C15H13BrFNO3 — CID 60522492

IUPACmethyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C15H13BrFNO3/c1-20-15(19)18-12-4-6-13(7-5-12)21-9-10-2-3-11(17)8-14(10)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyBGNFGYYHSXBPDZ-UHFFFAOYSA-N
MW354.18 g/mol
LogP4.35
Rot. Bonds4

About methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate

methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate (PubChem CID 60522492) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate
PubChem CID60522492
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Namemethyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C15H13BrFNO3/c1-20-15(19)18-12-4-6-13(7-5-12)21-9-10-2-3-11(17)8-14(10)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyBGNFGYYHSXBPDZ-UHFFFAOYSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]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

2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
methyl N-(3-bromo-4-ethylphenyl)carbamate
CID 150278306
(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 63365654
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793811
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate
CID 103866126
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 66437354
methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate
CID 47059942

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate (CID 60522492) is methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2ccc(F)cc2Br)cc1.
What is the InChIKey of methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate?
The InChIKey is BGNFGYYHSXBPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-15(19)18-12-4-6-13(7-5-12)21-9-10-2-3-11(17)8-14(10)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate?
methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate has a molecular weight of 354.18 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 60522492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).