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

C13H18BrNO — CID 10589086

IUPACN-[3-(3-bromophenyl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-2-5-13(16)15-9-4-7-11-6-3-8-12(14)10-11/h3,6,8,10H,2,4-5,7,9H2,1H3,(H,15,16)
InChIKeyIPIDRUHIDWJQSN-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.30
Rot. Bonds6

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

N-[3-(3-bromophenyl)propyl]butanamide (PubChem CID 10589086) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)propyl]butanamide
PubChem CID10589086
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[3-(3-bromophenyl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-2-5-13(16)15-9-4-7-11-6-3-8-12(14)10-11/h3,6,8,10H,2,4-5,7,9H2,1H3,(H,15,16)
InChIKeyIPIDRUHIDWJQSN-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.30
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]butanamide?
The IUPAC name of N-[3-(3-bromophenyl)propyl]butanamide (CID 10589086) is N-[3-(3-bromophenyl)propyl]butanamide.
What is the SMILES notation for N-[3-(3-bromophenyl)propyl]butanamide?
The canonical SMILES for N-[3-(3-bromophenyl)propyl]butanamide is CCCC(=O)NCCCc1cccc(Br)c1.
What is the InChIKey of N-[3-(3-bromophenyl)propyl]butanamide?
The InChIKey is IPIDRUHIDWJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-5-13(16)15-9-4-7-11-6-3-8-12(14)10-11/h3,6,8,10H,2,4-5,7,9H2,1H3,(H,15,16).
What are the key properties of N-[3-(3-bromophenyl)propyl]butanamide?
N-[3-(3-bromophenyl)propyl]butanamide has a molecular weight of 284.20 g/mol, XLogP of 3.30, 6 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]butanamide is sourced from PubChem (CID 10589086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).