4'-Bromoacetanilide

C8H8BrNO — CID 7683

IUPACN-(4-bromophenyl)acetamide
SMILESCC(=O)NC1=CC=C(C=C1)Br
InChIInChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKeyMSLICLMCQYQNPK-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.30
Rot. Bonds1

About 4'-Bromoacetanilide

4'-Bromoacetanilide (PubChem CID 7683) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name4'-Bromoacetanilide
PubChem CID7683
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC NameN-(4-bromophenyl)acetamide
SMILESCC(=O)NC1=CC=C(C=C1)Br
InChIInChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKeyMSLICLMCQYQNPK-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity141

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetanilide
CID 904
2-Methylacetanilide
CID 12107
4-Aminoacetanilide
CID 31230
N-(4-Bromophenyl)urea
CID 16074
N-(4-Bromophenyl)-N'-methylurea
CID 152311
N-(4-Iodophenyl)acetamide
CID 12147
N-Phenylbutanamide
CID 14323
3-(4-Bromophenyl)-1,1-diethylurea
CID 735609
N-(4-fluorophenyl)acetamide
CID 9601
N-(4-Bromophenyl)-2-chloroacetamide
CID 17374
Isobutyranilide
CID 20436
Valeranilide
CID 82501

Frequently Asked Questions

What is the IUPAC name of 4'-Bromoacetanilide?
The IUPAC name of 4'-Bromoacetanilide (CID 7683) is N-(4-bromophenyl)acetamide.
What is the SMILES notation for 4'-Bromoacetanilide?
The canonical SMILES for 4'-Bromoacetanilide is CC(=O)NC1=CC=C(C=C1)Br.
What is the InChIKey of 4'-Bromoacetanilide?
The InChIKey is MSLICLMCQYQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11).
What are the key properties of 4'-Bromoacetanilide?
4'-Bromoacetanilide has a molecular weight of 214.06 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-Bromoacetanilide is sourced from PubChem (CID 7683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).