N-(2,5-dichlorophenyl)heptanamide

C13H17Cl2NO — CID 3294645

IUPACN-(2,5-dichlorophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-2-3-4-5-6-13(17)16-12-9-10(14)7-8-11(12)15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyNCLZGZUOHJMJPZ-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.90
Rot. Bonds6

About N-(2,5-dichlorophenyl)heptanamide

N-(2,5-dichlorophenyl)heptanamide (PubChem CID 3294645) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)heptanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)heptanamide
PubChem CID3294645
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-(2,5-dichlorophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-2-3-4-5-6-13(17)16-12-9-10(14)7-8-11(12)15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyNCLZGZUOHJMJPZ-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,5-dichlorophenyl)heptanamide 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-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(2-chlorophenyl)octanamide
CID 2292983
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
N-(2-chlorophenyl)hexanamide
CID 4644560

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)heptanamide?
The IUPAC name of N-(2,5-dichlorophenyl)heptanamide (CID 3294645) is N-(2,5-dichlorophenyl)heptanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)heptanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)heptanamide is CCCCCCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)heptanamide?
The InChIKey is NCLZGZUOHJMJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-2-3-4-5-6-13(17)16-12-9-10(14)7-8-11(12)15/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(2,5-dichlorophenyl)heptanamide?
N-(2,5-dichlorophenyl)heptanamide has a molecular weight of 274.19 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)heptanamide is sourced from PubChem (CID 3294645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).