benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate

C17H18BrNO3 — CID 110291658

IUPACbenzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
SMILESCC(O)(CNC(=O)OCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO3/c1-17(21,14-7-9-15(18)10-8-14)12-19-16(20)22-11-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3,(H,19,20)
InChIKeyVUWSFZMLDXONLZ-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.58
Rot. Bonds5

About benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate

benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate (PubChem CID 110291658) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
PubChem CID110291658
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Namebenzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
SMILESCC(O)(CNC(=O)OCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO3/c1-17(21,14-7-9-15(18)10-8-14)12-19-16(20)22-11-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3,(H,19,20)
InChIKeyVUWSFZMLDXONLZ-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl N-(3,3,3-trifluoro-2-formyl-2-methylpropyl)carbamate
CID 10913233
benzyl N-(4-bromo-2-ethyl-2-methyl-3-oxobutyl)carbamate
CID 104701872
phenylmethoxycarbonylaminomethyl 2-hydroxy-2-methylpropanoate
CID 57154760
2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid
CID 142666338
benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate
CID 90916438
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate?
The IUPAC name of benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate (CID 110291658) is benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate is CC(O)(CNC(=O)OCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate?
The InChIKey is VUWSFZMLDXONLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-17(21,14-7-9-15(18)10-8-14)12-19-16(20)22-11-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3,(H,19,20).
What are the key properties of benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate?
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate has a molecular weight of 364.24 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 110291658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).