N-(3-bromophenyl)acetamide

C8H8BrNO — CID 12123

IUPACN-(3-bromophenyl)acetamide
SMILESCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKeyXXHOHJTVFUJJMT-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.41
Rot. Bonds1

About N-(3-bromophenyl)acetamide

N-(3-bromophenyl)acetamide (PubChem CID 12123) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is N-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)acetamide
PubChem CID12123
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC NameN-(3-bromophenyl)acetamide
SMILESCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKeyXXHOHJTVFUJJMT-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.41
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
4'-Bromoacetanilide
CID 7683
N-(4-Iodophenyl)acetamide
CID 12147
N-Phenylbutanamide
CID 14323
N-(4-fluorophenyl)acetamide
CID 9601
N-(4-Bromophenyl)-2-chloroacetamide
CID 17374
Isobutyranilide
CID 20436
Valeranilide
CID 82501
ethyl N-(4-bromophenyl)carbamate
CID 263217
Acetamide, N-(2-bromo-4-methylphenyl)-
CID 69200

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)acetamide?
The IUPAC name of N-(3-bromophenyl)acetamide (CID 12123) is N-(3-bromophenyl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)acetamide?
The canonical SMILES for N-(3-bromophenyl)acetamide is CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)acetamide?
The InChIKey is XXHOHJTVFUJJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11).
What are the key properties of N-(3-bromophenyl)acetamide?
N-(3-bromophenyl)acetamide has a molecular weight of 214.06 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)acetamide is sourced from PubChem (CID 12123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).