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

C11H14BrNO — CID 10682476

IUPACN-[3-(3-bromophenyl)propyl]acetamide
SMILESCC(=O)NCCCc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-9(14)13-7-3-5-10-4-2-6-11(12)8-10/h2,4,6,8H,3,5,7H2,1H3,(H,13,14)
InChIKeyDTMBCQVNLMZYLK-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.52
Rot. Bonds4

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

N-[3-(3-bromophenyl)propyl]acetamide (PubChem CID 10682476) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)propyl]acetamide
PubChem CID10682476
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[3-(3-bromophenyl)propyl]acetamide
SMILESCC(=O)NCCCc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-9(14)13-7-3-5-10-4-2-6-11(12)8-10/h2,4,6,8H,3,5,7H2,1H3,(H,13,14)
InChIKeyDTMBCQVNLMZYLK-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(3-bromophenyl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide
CID 688145
N-(2-phenylethyl)acetamide
CID 70143
N-(2-Phenylethyl)propanamide
CID 94894
N-(2-bromobenzyl)acetamide
CID 2824953
3-(3-bromophenyl)-N-ethylpropanamide
CID 44531540
(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide
CID 2677304
N-[2-(3-Bromophenyl)ethyl]-N-methylamine
CID 44578545
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
2-Bromo-N-(2-phenylethyl)acetamide
CID 9881279
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
3-(3-bromophenyl)-N-(1-phenylpropyl)acrylamide
CID 5717543
N-[3-(3-bromophenyl)propyl]propanamide
CID 10563944

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)propyl]acetamide?
The IUPAC name of N-[3-(3-bromophenyl)propyl]acetamide (CID 10682476) is N-[3-(3-bromophenyl)propyl]acetamide.
What is the SMILES notation for N-[3-(3-bromophenyl)propyl]acetamide?
The canonical SMILES for N-[3-(3-bromophenyl)propyl]acetamide is CC(=O)NCCCc1cccc(Br)c1.
What is the InChIKey of N-[3-(3-bromophenyl)propyl]acetamide?
The InChIKey is DTMBCQVNLMZYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-9(14)13-7-3-5-10-4-2-6-11(12)8-10/h2,4,6,8H,3,5,7H2,1H3,(H,13,14).
What are the key properties of N-[3-(3-bromophenyl)propyl]acetamide?
N-[3-(3-bromophenyl)propyl]acetamide has a molecular weight of 256.14 g/mol, XLogP of 2.52, 4 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]acetamide is sourced from PubChem (CID 10682476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).