[4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate

C18H17BrF2N2O3 — CID 2804728

IUPAC[4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H17BrF2N2O3/c1-3-23(4-2)18(25)26-16-8-5-11(19)9-13(16)17(24)22-15-7-6-12(20)10-14(15)21/h5-10H,3-4H2,1-2H3,(H,22,24)
InChIKeyMUJVLJLPPQHBLV-UHFFFAOYSA-N
MW427.25 g/mol
LogP4.82
Rot. Bonds5

About [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate

[4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate (PubChem CID 2804728) has the molecular formula C18H17BrF2N2O3 and a molecular weight of 427.25 g/mol. Its IUPAC name is [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate
PubChem CID2804728
Molecular FormulaC18H17BrF2N2O3
Molecular Weight427.25 g/mol
Exact Mass426.04
IUPAC Name[4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H17BrF2N2O3/c1-3-23(4-2)18(25)26-16-8-5-11(19)9-13(16)17(24)22-15-7-6-12(20)10-14(15)21/h5-10H,3-4H2,1-2H3,(H,22,24)
InChIKeyMUJVLJLPPQHBLV-UHFFFAOYSA-N
XLogP4.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate (CID 2804728) is [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate?
The InChIKey is MUJVLJLPPQHBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O3/c1-3-23(4-2)18(25)26-16-8-5-11(19)9-13(16)17(24)22-15-7-6-12(20)10-14(15)21/h5-10H,3-4H2,1-2H3,(H,22,24).
What are the key properties of [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate?
[4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate has a molecular weight of 427.25 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 2804728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).