6-chloro-N-ethyl-N-pentylhexanamide

C13H26ClNO — CID 91693912

IUPAC6-chloro-N-ethyl-N-pentylhexanamide
SMILESCCCCCN(CC)C(=O)CCCCCCl
InChIInChI=1S/C13H26ClNO/c1-3-5-9-12-15(4-2)13(16)10-7-6-8-11-14/h3-12H2,1-2H3
InChIKeyKVQLCOIPGYTTFW-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.82
Rot. Bonds10

About 6-chloro-N-ethyl-N-pentylhexanamide

6-chloro-N-ethyl-N-pentylhexanamide (PubChem CID 91693912) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-pentylhexanamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-pentylhexanamide
PubChem CID91693912
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name6-chloro-N-ethyl-N-pentylhexanamide
SMILESCCCCCN(CC)C(=O)CCCCCCl
InChIInChI=1S/C13H26ClNO/c1-3-5-9-12-15(4-2)13(16)10-7-6-8-11-14/h3-12H2,1-2H3
InChIKeyKVQLCOIPGYTTFW-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.82
H-Bond Donors ≤ 50
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 6-chloro-N-ethyl-N-pentylhexanamide 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-butyl-5-chloro-N-(trifluoromethyl)pentanamide
CID 44550871
6-Chloro-2-fluoro-1-(pyrrolidin-1-yl)hexan-1-one
CID 135391120
N-(2-Chloroethyl)-N-methyldodecanamide
CID 3020139
4-Chloro-1-(piperidin-1-yl)butan-1-one
CID 304080
4-Chloro-1-(2-methylpiperidin-1-yl)butan-1-one
CID 304101
Propanamide, N,N-dihexyl-2-chloro-
CID 533081
Propanamide, N,N-dihexyl-3-chloro-
CID 533192
Propanamide, N-decyl-N-methyl-3-chloro-
CID 533193
Propanamide, N,N-diheptyl-3-chloro-
CID 533195
Hexanamide, N,N-dibutyl-6-chloro-
CID 533342
Hexanamide, N,N-dihexyl-6-chloro-
CID 533344
Hexanamide, N,N-dioctyl-6-chloro-
CID 533346

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-pentylhexanamide?
The IUPAC name of 6-chloro-N-ethyl-N-pentylhexanamide (CID 91693912) is 6-chloro-N-ethyl-N-pentylhexanamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-pentylhexanamide?
The canonical SMILES for 6-chloro-N-ethyl-N-pentylhexanamide is CCCCCN(CC)C(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N-ethyl-N-pentylhexanamide?
The InChIKey is KVQLCOIPGYTTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-3-5-9-12-15(4-2)13(16)10-7-6-8-11-14/h3-12H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-N-pentylhexanamide?
6-chloro-N-ethyl-N-pentylhexanamide has a molecular weight of 247.81 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-pentylhexanamide is sourced from PubChem (CID 91693912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).