N-[1-(4-bromophenyl)ethyl]propanamide

C11H14BrNO — CID 2854151

IUPACN-[1-(4-bromophenyl)ethyl]propanamide
SMILESCCC(=O)NC(C)C1=CC=C(C=C1)Br
InChIInChI=1S/C11H14BrNO/c1-3-11(14)13-8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyBSUFDDTVAJOKOR-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.60
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]propanamide

N-[1-(4-bromophenyl)ethyl]propanamide (PubChem CID 2854151) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]propanamide
PubChem CID2854151
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[1-(4-bromophenyl)ethyl]propanamide
SMILESCCC(=O)NC(C)C1=CC=C(C=C1)Br
InChIInChI=1S/C11H14BrNO/c1-3-11(14)13-8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyBSUFDDTVAJOKOR-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]propanamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]propanamide (CID 2854151) is N-[1-(4-bromophenyl)ethyl]propanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]propanamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]propanamide is CCC(=O)NC(C)C1=CC=C(C=C1)Br.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]propanamide?
The InChIKey is BSUFDDTVAJOKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-11(14)13-8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(4-bromophenyl)ethyl]propanamide?
N-[1-(4-bromophenyl)ethyl]propanamide has a molecular weight of 256.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]propanamide is sourced from PubChem (CID 2854151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).