N-butyl-6-chloro-N-ethylhexanamide

C12H24ClNO — CID 91693896

IUPACN-butyl-6-chloro-N-ethylhexanamide
SMILESCCCCN(CC)C(=O)CCCCCCl
InChIInChI=1S/C12H24ClNO/c1-3-5-11-14(4-2)12(15)9-7-6-8-10-13/h3-11H2,1-2H3
InChIKeyPUTIMIRQQWEQTL-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.43
Rot. Bonds9

About N-butyl-6-chloro-N-ethylhexanamide

N-butyl-6-chloro-N-ethylhexanamide (PubChem CID 91693896) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-butyl-6-chloro-N-ethylhexanamide.

Molecular Properties

Compound NameN-butyl-6-chloro-N-ethylhexanamide
PubChem CID91693896
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-butyl-6-chloro-N-ethylhexanamide
SMILESCCCCN(CC)C(=O)CCCCCCl
InChIInChI=1S/C12H24ClNO/c1-3-5-11-14(4-2)12(15)9-7-6-8-10-13/h3-11H2,1-2H3
InChIKeyPUTIMIRQQWEQTL-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.43
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'}

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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 N-butyl-6-chloro-N-ethylhexanamide?
The IUPAC name of N-butyl-6-chloro-N-ethylhexanamide (CID 91693896) is N-butyl-6-chloro-N-ethylhexanamide.
What is the SMILES notation for N-butyl-6-chloro-N-ethylhexanamide?
The canonical SMILES for N-butyl-6-chloro-N-ethylhexanamide is CCCCN(CC)C(=O)CCCCCCl.
What is the InChIKey of N-butyl-6-chloro-N-ethylhexanamide?
The InChIKey is PUTIMIRQQWEQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-5-11-14(4-2)12(15)9-7-6-8-10-13/h3-11H2,1-2H3.
What are the key properties of N-butyl-6-chloro-N-ethylhexanamide?
N-butyl-6-chloro-N-ethylhexanamide has a molecular weight of 233.78 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-ethylhexanamide is sourced from PubChem (CID 91693896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).