2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate

C10H12BrNO3 — CID 79345643

IUPAC2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Br)cc1)OCCO
InChIInChI=1S/C10H12BrNO3/c11-9-3-1-8(2-4-9)7-12-10(14)15-6-5-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyIKKLWQLABZITMO-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.67
Rot. Bonds4

About 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate

2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate (PubChem CID 79345643) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate
PubChem CID79345643
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Br)cc1)OCCO
InChIInChI=1S/C10H12BrNO3/c11-9-3-1-8(2-4-9)7-12-10(14)15-6-5-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyIKKLWQLABZITMO-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 79346573
N-[(4-bromophenyl)methyl]-3-hydroxypropanamide
CID 115138976
2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 79348647
2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
CID 79349579
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048
ethyl N-[(4-bromophenyl)methylcarbamothioyl]carbamate
CID 71758606
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea
CID 117235648
butyl N-[(4-hydroxyphenyl)methyl]carbamate
CID 67634230
1-[(4-bromophenyl)methyl]-3-(5-hydroxypentyl)urea
CID 108899482
propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 112738600

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate (CID 79345643) is 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate is O=C(NCc1ccc(Br)cc1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate?
The InChIKey is IKKLWQLABZITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-9-3-1-8(2-4-9)7-12-10(14)15-6-5-13/h1-4,13H,5-7H2,(H,12,14).
What are the key properties of 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate?
2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate has a molecular weight of 274.11 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate is sourced from PubChem (CID 79345643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).