methyl N-(4-amino-3-bromophenyl)carbamate

C8H9BrN2O2 — CID 82861669

IUPACmethyl N-(4-amino-3-bromophenyl)carbamate
SMILESCOC(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C8H9BrN2O2/c1-13-8(12)11-5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12)
InChIKeyQMMIKKCDXBVYDW-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.21
Rot. Bonds1

About methyl N-(4-amino-3-bromophenyl)carbamate

methyl N-(4-amino-3-bromophenyl)carbamate (PubChem CID 82861669) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl N-(4-amino-3-bromophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-amino-3-bromophenyl)carbamate
PubChem CID82861669
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl N-(4-amino-3-bromophenyl)carbamate
SMILESCOC(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C8H9BrN2O2/c1-13-8(12)11-5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12)
InChIKeyQMMIKKCDXBVYDW-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
methyl N-(3-bromo-4-ethylphenyl)carbamate
CID 150278306
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
CID 82861698
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
CID 61213394
methyl N-(4-bromo-3-fluorophenyl)carbamate;molecular iodine
CID 159991921
1-(4-amino-3-bromophenyl)-3-propylurea
CID 82861515
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-amino-3-bromophenyl)carbamate?
The IUPAC name of methyl N-(4-amino-3-bromophenyl)carbamate (CID 82861669) is methyl N-(4-amino-3-bromophenyl)carbamate.
What is the SMILES notation for methyl N-(4-amino-3-bromophenyl)carbamate?
The canonical SMILES for methyl N-(4-amino-3-bromophenyl)carbamate is COC(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of methyl N-(4-amino-3-bromophenyl)carbamate?
The InChIKey is QMMIKKCDXBVYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-8(12)11-5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of methyl N-(4-amino-3-bromophenyl)carbamate?
methyl N-(4-amino-3-bromophenyl)carbamate has a molecular weight of 245.08 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-amino-3-bromophenyl)carbamate is sourced from PubChem (CID 82861669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).