N-(3-bromophenyl)propanamide

C9H10BrNO — CID 806279

IUPACN-(3-bromophenyl)propanamide
SMILESCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyKXAFJAVWDBLEAM-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.80
Rot. Bonds2

About N-(3-bromophenyl)propanamide

N-(3-bromophenyl)propanamide (PubChem CID 806279) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-(3-bromophenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)propanamide
PubChem CID806279
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-(3-bromophenyl)propanamide
SMILESCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyKXAFJAVWDBLEAM-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)propanamide?
The IUPAC name of N-(3-bromophenyl)propanamide (CID 806279) is N-(3-bromophenyl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)propanamide?
The canonical SMILES for N-(3-bromophenyl)propanamide is CCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)propanamide?
The InChIKey is KXAFJAVWDBLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of N-(3-bromophenyl)propanamide?
N-(3-bromophenyl)propanamide has a molecular weight of 228.09 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)propanamide is sourced from PubChem (CID 806279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).