2-(3-bromophenyl)-N-(5-chloropentyl)acetamide

C13H17BrClNO — CID 107320862

IUPAC2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCCCCCl
InChIInChI=1S/C13H17BrClNO/c14-12-6-4-5-11(9-12)10-13(17)16-8-3-1-2-7-15/h4-6,9H,1-3,7-8,10H2,(H,16,17)
InChIKeyHPMAIXJNVUIVKD-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.52
Rot. Bonds7

About 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide

2-(3-bromophenyl)-N-(5-chloropentyl)acetamide (PubChem CID 107320862) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
PubChem CID107320862
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCCCCCl
InChIInChI=1S/C13H17BrClNO/c14-12-6-4-5-11(9-12)10-13(17)16-8-3-1-2-7-15/h4-6,9H,1-3,7-8,10H2,(H,16,17)
InChIKeyHPMAIXJNVUIVKD-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-N-(5-chloropentyl)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

N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
CID 107846976
2-(3-bromophenyl)-N-hex-5-ynylacetamide
CID 103757951
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
CID 86877152
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
5-[[2-(3-bromophenyl)acetyl]amino]-2-methylpentanoic acid
CID 113440578
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide (CID 107320862) is 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide is O=C(Cc1cccc(Br)c1)NCCCCCCl.
What is the InChIKey of 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide?
The InChIKey is HPMAIXJNVUIVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c14-12-6-4-5-11(9-12)10-13(17)16-8-3-1-2-7-15/h4-6,9H,1-3,7-8,10H2,(H,16,17).
What are the key properties of 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide?
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide has a molecular weight of 318.64 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(5-chloropentyl)acetamide is sourced from PubChem (CID 107320862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).