4-(4-bromophenyl)-N-hydroxybutanamide

C10H12BrNO2 — CID 139305557

IUPAC4-(4-bromophenyl)-N-hydroxybutanamide
SMILESO=C(CCCc1ccc(Br)cc1)NO
InChIInChI=1S/C10H12BrNO2/c11-9-6-4-8(5-7-9)2-1-3-10(13)12-14/h4-7,14H,1-3H2,(H,12,13)
InChIKeyHAXDAHJQXQTZKX-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.28
Rot. Bonds4

About 4-(4-bromophenyl)-N-hydroxybutanamide

4-(4-bromophenyl)-N-hydroxybutanamide (PubChem CID 139305557) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-hydroxybutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-hydroxybutanamide
PubChem CID139305557
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-(4-bromophenyl)-N-hydroxybutanamide
SMILESO=C(CCCc1ccc(Br)cc1)NO
InChIInChI=1S/C10H12BrNO2/c11-9-6-4-8(5-7-9)2-1-3-10(13)12-14/h4-7,14H,1-3H2,(H,12,13)
InChIKeyHAXDAHJQXQTZKX-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.28
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

4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775
4-(4-bromophenyl)-N,N-dimethylbutanamide
CID 158418152
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
CID 126539842
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
CID 110893974
6-[4-(4-ethylphenyl)phenyl]-N-hydroxyhexanamide
CID 142170347
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075
1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
CID 157299042

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-hydroxybutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-hydroxybutanamide (CID 139305557) is 4-(4-bromophenyl)-N-hydroxybutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-hydroxybutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-hydroxybutanamide is O=C(CCCc1ccc(Br)cc1)NO.
What is the InChIKey of 4-(4-bromophenyl)-N-hydroxybutanamide?
The InChIKey is HAXDAHJQXQTZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-9-6-4-8(5-7-9)2-1-3-10(13)12-14/h4-7,14H,1-3H2,(H,12,13).
What are the key properties of 4-(4-bromophenyl)-N-hydroxybutanamide?
4-(4-bromophenyl)-N-hydroxybutanamide has a molecular weight of 258.11 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-hydroxybutanamide is sourced from PubChem (CID 139305557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).