2-chloro-4-ethyloctanamide

C10H20ClNO — CID 151338743

IUPAC2-chloro-4-ethyloctanamide
SMILESCCCCC(CC)CC(Cl)C(N)=O
InChIInChI=1S/C10H20ClNO/c1-3-5-6-8(4-2)7-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyOJZVYRRVDVSNFX-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.69
Rot. Bonds7

About 2-chloro-4-ethyloctanamide

2-chloro-4-ethyloctanamide (PubChem CID 151338743) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-4-ethyloctanamide.

Molecular Properties

Compound Name2-chloro-4-ethyloctanamide
PubChem CID151338743
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-4-ethyloctanamide
SMILESCCCCC(CC)CC(Cl)C(N)=O
InChIInChI=1S/C10H20ClNO/c1-3-5-6-8(4-2)7-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyOJZVYRRVDVSNFX-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3-hydroxynonan-2-one
CID 174582853
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
5,8,10-triethylpentadecane
CID 123791231
1-chloro-1-(1-chloro-3-ethylheptoxy)-3-ethylheptane
CID 163418082
(5S)-3,5-diethylnonane;methane
CID 159387669
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-butyl-4-ethyloctanoic acid;nickel
CID 87483186
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
3-butoxy-2-chloropropanamide
CID 20565963
tetrakis(4-ethyl-2-sulfanyloctanoate);tin(4+)
CID 158685009
ethyl 2-ethylhexyl carbonate
CID 54194012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyloctanamide?
The IUPAC name of 2-chloro-4-ethyloctanamide (CID 151338743) is 2-chloro-4-ethyloctanamide.
What is the SMILES notation for 2-chloro-4-ethyloctanamide?
The canonical SMILES for 2-chloro-4-ethyloctanamide is CCCCC(CC)CC(Cl)C(N)=O.
What is the InChIKey of 2-chloro-4-ethyloctanamide?
The InChIKey is OJZVYRRVDVSNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-5-6-8(4-2)7-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 2-chloro-4-ethyloctanamide?
2-chloro-4-ethyloctanamide has a molecular weight of 205.73 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyloctanamide is sourced from PubChem (CID 151338743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).