N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide

C14H20BrNO2 — CID 114171510

IUPACN-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCCCOCCBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-2-12-4-6-13(7-5-12)14(17)16-9-3-10-18-11-8-15/h4-7H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyOXXKGSCDEDVEEG-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.78
Rot. Bonds8

About N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide

N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide (PubChem CID 114171510) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
PubChem CID114171510
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCCCOCCBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-2-12-4-6-13(7-5-12)14(17)16-9-3-10-18-11-8-15/h4-7H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyOXXKGSCDEDVEEG-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide 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

N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
CID 106307307
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
CID 106307182
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide
CID 106307543
N-[3-(2-bromoethoxy)propyl]-3-chloro-4-fluorobenzamide
CID 114171496
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide (CID 114171510) is N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCCCOCCBr)cc1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide?
The InChIKey is OXXKGSCDEDVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-12-4-6-13(7-5-12)14(17)16-9-3-10-18-11-8-15/h4-7H,2-3,8-11H2,1H3,(H,16,17).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide?
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide has a molecular weight of 314.22 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide is sourced from PubChem (CID 114171510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).