methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate

C10H12BrNO3 — CID 110780679

IUPACmethyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
SMILESCOC(=O)NCc1cc(Br)ccc1OC
InChIInChI=1S/C10H12BrNO3/c1-14-9-4-3-8(11)5-7(9)6-12-10(13)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyBDYLOCDLLHXTCI-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.31
Rot. Bonds3

About methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate

methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate (PubChem CID 110780679) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
PubChem CID110780679
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namemethyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
SMILESCOC(=O)NCc1cc(Br)ccc1OC
InChIInChI=1S/C10H12BrNO3/c1-14-9-4-3-8(11)5-7(9)6-12-10(13)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyBDYLOCDLLHXTCI-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide
CID 115172151
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
N-[(5-bromo-2-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167838
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
5-bromo-2-methoxybenzonitrile;tert-butyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 159150361
ethyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoacetate
CID 115141965
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165713
2-[(5-bromo-2-methoxyphenyl)methylamino]ethylurea
CID 83111448
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115154641
1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine
CID 110930286
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate?
The IUPAC name of methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate (CID 110780679) is methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate is COC(=O)NCc1cc(Br)ccc1OC.
What is the InChIKey of methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate?
The InChIKey is BDYLOCDLLHXTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-14-9-4-3-8(11)5-7(9)6-12-10(13)15-2/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate?
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate has a molecular weight of 274.11 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 110780679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).