4-[bromo(hydroxy)methyl]benzamide

C8H8BrNO2 — CID 142783477

IUPAC4-[bromo(hydroxy)methyl]benzamide
SMILESNC(=O)c1ccc(C(O)Br)cc1
InChIInChI=1S/C8H8BrNO2/c9-7(11)5-1-3-6(4-2-5)8(10)12/h1-4,7,11H,(H2,10,12)
InChIKeyHATFSHMKHRPFDW-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.17
Rot. Bonds2

About 4-[bromo(hydroxy)methyl]benzamide

4-[bromo(hydroxy)methyl]benzamide (PubChem CID 142783477) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 4-[bromo(hydroxy)methyl]benzamide.

Molecular Properties

Compound Name4-[bromo(hydroxy)methyl]benzamide
PubChem CID142783477
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name4-[bromo(hydroxy)methyl]benzamide
SMILESNC(=O)c1ccc(C(O)Br)cc1
InChIInChI=1S/C8H8BrNO2/c9-7(11)5-1-3-6(4-2-5)8(10)12/h1-4,7,11H,(H2,10,12)
InChIKeyHATFSHMKHRPFDW-UHFFFAOYSA-N
XLogP1.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-1-bromo-2-oxoethyl)benzamide
CID 170359272
4-(1-hydroxyethyl)benzamide
CID 22716490
4-(3-bromo-1,2-dihydroxypropyl)benzamide
CID 171860109
4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
CID 130706174
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
4-(1-hydroxypropyl)benzamide
CID 118219631
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-(4-bromo-1,2-dihydroxybutyl)benzamide
CID 171892136
4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
4-(3-methylpentan-2-yl)benzamide
CID 126657369
3-amino-3-(4-carbamoylphenyl)propanoic acid
CID 84675902
4-[(1R)-1-acetamidoethyl]benzamide
CID 175730971

Frequently Asked Questions

What is the IUPAC name of 4-[bromo(hydroxy)methyl]benzamide?
The IUPAC name of 4-[bromo(hydroxy)methyl]benzamide (CID 142783477) is 4-[bromo(hydroxy)methyl]benzamide.
What is the SMILES notation for 4-[bromo(hydroxy)methyl]benzamide?
The canonical SMILES for 4-[bromo(hydroxy)methyl]benzamide is NC(=O)c1ccc(C(O)Br)cc1.
What is the InChIKey of 4-[bromo(hydroxy)methyl]benzamide?
The InChIKey is HATFSHMKHRPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-7(11)5-1-3-6(4-2-5)8(10)12/h1-4,7,11H,(H2,10,12).
What are the key properties of 4-[bromo(hydroxy)methyl]benzamide?
4-[bromo(hydroxy)methyl]benzamide has a molecular weight of 230.06 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo(hydroxy)methyl]benzamide is sourced from PubChem (CID 142783477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).