benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate

C16H16BrNO4 — CID 22933103

IUPACbenzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
SMILESCOc1cc(Br)cc(OC)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H16BrNO4/c1-20-13-8-12(17)9-14(21-2)15(13)18-16(19)22-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyAFVOTXFYBNMEHS-UHFFFAOYSA-N
MW366.21 g/mol
LogP4.22
Rot. Bonds5

About benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate

benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate (PubChem CID 22933103) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
PubChem CID22933103
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Namebenzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
SMILESCOc1cc(Br)cc(OC)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H16BrNO4/c1-20-13-8-12(17)9-14(21-2)15(13)18-16(19)22-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyAFVOTXFYBNMEHS-UHFFFAOYSA-N
XLogP4.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
CID 131862352
benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
CID 70300379
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
CID 173319571
benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate?
The IUPAC name of benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate (CID 22933103) is benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate?
The canonical SMILES for benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate is COc1cc(Br)cc(OC)c1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate?
The InChIKey is AFVOTXFYBNMEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-20-13-8-12(17)9-14(21-2)15(13)18-16(19)22-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate?
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate has a molecular weight of 366.21 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate is sourced from PubChem (CID 22933103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).