methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate

C15H14BrFN2O2 — CID 103866126

IUPACmethyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2cc(F)ccc2Br)c1
InChIInChI=1S/C15H14BrFN2O2/c1-21-15(20)19-13-4-2-3-12(8-13)18-9-10-7-11(17)5-6-14(10)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeySODYBHOFEYLYMD-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.38
Rot. Bonds4

About methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate

methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate (PubChem CID 103866126) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate
PubChem CID103866126
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Namemethyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2cc(F)ccc2Br)c1
InChIInChI=1S/C15H14BrFN2O2/c1-21-15(20)19-13-4-2-3-12(8-13)18-9-10-7-11(17)5-6-14(10)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeySODYBHOFEYLYMD-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
3-[(2-bromo-5-fluorophenyl)methylamino]benzenesulfonamide
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methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
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[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
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methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
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methyl 2-[(2-bromo-5-fluorophenyl)methylamino]benzoate
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CID 28661893

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate (CID 103866126) is methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate is COC(=O)Nc1cccc(NCc2cc(F)ccc2Br)c1.
What is the InChIKey of methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate?
The InChIKey is SODYBHOFEYLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-21-15(20)19-13-4-2-3-12(8-13)18-9-10-7-11(17)5-6-14(10)16/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate?
methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate has a molecular weight of 353.19 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 103866126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).