(3-bromophenyl)methyl carbamate

C8H8BrNO2 — CID 69381791

IUPAC(3-bromophenyl)methyl carbamate
SMILESNC(=O)OCc1cccc(Br)c1
InChIInChI=1S/C8H8BrNO2/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyGTPMLMVUBXWHGF-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.04
Rot. Bonds2

About (3-bromophenyl)methyl carbamate

(3-bromophenyl)methyl carbamate (PubChem CID 69381791) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is (3-bromophenyl)methyl carbamate.

Molecular Properties

Compound Name(3-bromophenyl)methyl carbamate
PubChem CID69381791
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name(3-bromophenyl)methyl carbamate
SMILESNC(=O)OCc1cccc(Br)c1
InChIInChI=1S/C8H8BrNO2/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyGTPMLMVUBXWHGF-UHFFFAOYSA-N
XLogP2.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl hydroxycarbamate
CID 18907
Benzyl carbamate
CID 12136
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
1-Phenylprop-2-en-1-yl hydrogen carbonimidate
CID 3056714
Benzenemethanol, 3-bromo-, 1-acetate
CID 12858554
Formic acid, (2-bromophenyl)methyl ester
CID 23511200
1-Bromo-3-[(2-methylpropoxy)methyl]benzene
CID 61531714
Formic acid, (4-bromophenyl)methyl ester
CID 10921877
1-(3-Bromophenyl)ethyl acetate
CID 244763
p-bromobenzyl N,N-dimethyl carbamate
CID 12963463
Formic acid, (3-bromophenyl)methyl ester
CID 17950155

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)methyl carbamate?
The IUPAC name of (3-bromophenyl)methyl carbamate (CID 69381791) is (3-bromophenyl)methyl carbamate.
What is the SMILES notation for (3-bromophenyl)methyl carbamate?
The canonical SMILES for (3-bromophenyl)methyl carbamate is NC(=O)OCc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)methyl carbamate?
The InChIKey is GTPMLMVUBXWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H2,10,11).
What are the key properties of (3-bromophenyl)methyl carbamate?
(3-bromophenyl)methyl carbamate has a molecular weight of 230.06 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)methyl carbamate is sourced from PubChem (CID 69381791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).