N-[1-(3-bromophenyl)propyl]acetamide

C11H14BrNO — CID 2834229

IUPACN-[1-(3-bromophenyl)propyl]acetamide
SMILESCCC(NC(C)=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-3-11(13-8(2)14)9-5-4-6-10(12)7-9/h4-7,11H,3H2,1-2H3,(H,13,14)
InChIKeyNYGSOGIHDAMKOB-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.04
Rot. Bonds3

About N-[1-(3-bromophenyl)propyl]acetamide

N-[1-(3-bromophenyl)propyl]acetamide (PubChem CID 2834229) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]acetamide
PubChem CID2834229
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[1-(3-bromophenyl)propyl]acetamide
SMILESCCC(NC(C)=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-3-11(13-8(2)14)9-5-4-6-10(12)7-9/h4-7,11H,3H2,1-2H3,(H,13,14)
InChIKeyNYGSOGIHDAMKOB-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)propyl]acetamide (CID 2834229) is N-[1-(3-bromophenyl)propyl]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]acetamide is CCC(NC(C)=O)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]acetamide?
The InChIKey is NYGSOGIHDAMKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-11(13-8(2)14)9-5-4-6-10(12)7-9/h4-7,11H,3H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(3-bromophenyl)propyl]acetamide?
N-[1-(3-bromophenyl)propyl]acetamide has a molecular weight of 256.14 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]acetamide is sourced from PubChem (CID 2834229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).