1-[(4-bromophenyl)methyl]-1-hydroxyurea

C8H9BrN2O2 — CID 19780436

IUPAC1-[(4-bromophenyl)methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O2/c9-7-3-1-6(2-4-7)5-11(13)8(10)12/h1-4,13H,5H2,(H2,10,12)
InChIKeyKBQMTFDPAVTQRG-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.72
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-1-hydroxyurea

1-[(4-bromophenyl)methyl]-1-hydroxyurea (PubChem CID 19780436) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-1-hydroxyurea
PubChem CID19780436
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name1-[(4-bromophenyl)methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O2/c9-7-3-1-6(2-4-7)5-11(13)8(10)12/h1-4,13H,5H2,(H2,10,12)
InChIKeyKBQMTFDPAVTQRG-UHFFFAOYSA-N
XLogP1.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
1-[(3-chlorophenyl)methyl]-1-hydroxyurea
CID 134087459
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
ethyl N-[(4-bromophenyl)methyl]-N-cyanocarbamate
CID 139239929
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
2-amino-1-[(4-bromophenyl)methyl]-1-methylguanidine
CID 77053986
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
CID 82851243
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
1,1-bis(4-bromophenyl)urea;hydrochloride
CID 172731667
methyl 2-[(4-bromophenyl)methyl-methylamino]propanoate
CID 60705767

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-1-hydroxyurea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-1-hydroxyurea (CID 19780436) is 1-[(4-bromophenyl)methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-1-hydroxyurea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-1-hydroxyurea is NC(=O)N(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-1-hydroxyurea?
The InChIKey is KBQMTFDPAVTQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-7-3-1-6(2-4-7)5-11(13)8(10)12/h1-4,13H,5H2,(H2,10,12).
What are the key properties of 1-[(4-bromophenyl)methyl]-1-hydroxyurea?
1-[(4-bromophenyl)methyl]-1-hydroxyurea has a molecular weight of 245.08 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-1-hydroxyurea is sourced from PubChem (CID 19780436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).