N,N-dibutyl-6-chlorohexanamide

C14H28ClNO — CID 533342

IUPACN,N-dibutyl-6-chlorohexanamide
SMILESCCCCN(CCCC)C(=O)CCCCCCl
InChIInChI=1S/C14H28ClNO/c1-3-5-12-16(13-6-4-2)14(17)10-8-7-9-11-15/h3-13H2,1-2H3
InChIKeyDLKRTZPVPJCJBW-UHFFFAOYSA-N
MW261.84 g/mol
LogP4.21
Rot. Bonds11

About N,N-dibutyl-6-chlorohexanamide

N,N-dibutyl-6-chlorohexanamide (PubChem CID 533342) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N,N-dibutyl-6-chlorohexanamide.

Molecular Properties

Compound NameN,N-dibutyl-6-chlorohexanamide
PubChem CID533342
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN,N-dibutyl-6-chlorohexanamide
SMILESCCCCN(CCCC)C(=O)CCCCCCl
InChIInChI=1S/C14H28ClNO/c1-3-5-12-16(13-6-4-2)14(17)10-8-7-9-11-15/h3-13H2,1-2H3
InChIKeyDLKRTZPVPJCJBW-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 54.21
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-dihexyl-6-chloro-
CID 533344
Hexanamide, N,N-dioctyl-6-chloro-
CID 533346
Hexanamide, N,N-dinonyl-6-chloro-
CID 533347

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-chlorohexanamide?
The IUPAC name of N,N-dibutyl-6-chlorohexanamide (CID 533342) is N,N-dibutyl-6-chlorohexanamide.
What is the SMILES notation for N,N-dibutyl-6-chlorohexanamide?
The canonical SMILES for N,N-dibutyl-6-chlorohexanamide is CCCCN(CCCC)C(=O)CCCCCCl.
What is the InChIKey of N,N-dibutyl-6-chlorohexanamide?
The InChIKey is DLKRTZPVPJCJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-3-5-12-16(13-6-4-2)14(17)10-8-7-9-11-15/h3-13H2,1-2H3.
What are the key properties of N,N-dibutyl-6-chlorohexanamide?
N,N-dibutyl-6-chlorohexanamide has a molecular weight of 261.84 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-chlorohexanamide is sourced from PubChem (CID 533342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).