N-[3-(3-bromophenyl)propyl]propanamide

C12H16BrNO — CID 10563944

IUPACN-[3-(3-bromophenyl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-2-12(15)14-8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,15)
InChIKeyITLBUZUZZSNFRS-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.91
Rot. Bonds5

About N-[3-(3-bromophenyl)propyl]propanamide

N-[3-(3-bromophenyl)propyl]propanamide (PubChem CID 10563944) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)propyl]propanamide
PubChem CID10563944
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-[3-(3-bromophenyl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-2-12(15)14-8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,15)
InChIKeyITLBUZUZZSNFRS-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)propyl]propanamide?
The IUPAC name of N-[3-(3-bromophenyl)propyl]propanamide (CID 10563944) is N-[3-(3-bromophenyl)propyl]propanamide.
What is the SMILES notation for N-[3-(3-bromophenyl)propyl]propanamide?
The canonical SMILES for N-[3-(3-bromophenyl)propyl]propanamide is CCC(=O)NCCCc1cccc(Br)c1.
What is the InChIKey of N-[3-(3-bromophenyl)propyl]propanamide?
The InChIKey is ITLBUZUZZSNFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-12(15)14-8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,15).
What are the key properties of N-[3-(3-bromophenyl)propyl]propanamide?
N-[3-(3-bromophenyl)propyl]propanamide has a molecular weight of 270.17 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)propyl]propanamide is sourced from PubChem (CID 10563944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).