2-(2-chloroheptyl)decanamide

C17H34ClNO — CID 57359712

IUPAC2-(2-chloroheptyl)decanamide
SMILESCCCCCCCCC(CC(Cl)CCCCC)C(N)=O
InChIInChI=1S/C17H34ClNO/c1-3-5-7-8-9-11-12-15(17(19)20)14-16(18)13-10-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,20)
InChIKeyKAGLYHIJBFUVMA-UHFFFAOYSA-N
MW303.92 g/mol
LogP5.42
Rot. Bonds14

About 2-(2-chloroheptyl)decanamide

2-(2-chloroheptyl)decanamide (PubChem CID 57359712) has the molecular formula C17H34ClNO and a molecular weight of 303.92 g/mol. Its IUPAC name is 2-(2-chloroheptyl)decanamide.

Molecular Properties

Compound Name2-(2-chloroheptyl)decanamide
PubChem CID57359712
Molecular FormulaC17H34ClNO
Molecular Weight303.92 g/mol
Exact Mass303.23
IUPAC Name2-(2-chloroheptyl)decanamide
SMILESCCCCCCCCC(CC(Cl)CCCCC)C(N)=O
InChIInChI=1S/C17H34ClNO/c1-3-5-7-8-9-11-12-15(17(19)20)14-16(18)13-10-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,20)
InChIKeyKAGLYHIJBFUVMA-UHFFFAOYSA-N
XLogP5.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.92
LogP ≤ 55.42
H-Bond Donors ≤ 51
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

2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
4-chloro-2,11-dioctyldodecanedioic acid
CID 142760417
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
4-carbamoyl-2-pentylnonanoic acid
CID 20609426
ethene;2-hexadecyloctadecanamide
CID 87836706
4-(aminomethyl)-2-pentylnonanamide
CID 23386238
2,9-dibutyldecanediamide
CID 141080467
(4S)-4-(chloromethyl)-2-pentylnonanamide
CID 59911731
azane;2-ethyldodecanamide
CID 174462460

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroheptyl)decanamide?
The IUPAC name of 2-(2-chloroheptyl)decanamide (CID 57359712) is 2-(2-chloroheptyl)decanamide.
What is the SMILES notation for 2-(2-chloroheptyl)decanamide?
The canonical SMILES for 2-(2-chloroheptyl)decanamide is CCCCCCCCC(CC(Cl)CCCCC)C(N)=O.
What is the InChIKey of 2-(2-chloroheptyl)decanamide?
The InChIKey is KAGLYHIJBFUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34ClNO/c1-3-5-7-8-9-11-12-15(17(19)20)14-16(18)13-10-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,20).
What are the key properties of 2-(2-chloroheptyl)decanamide?
2-(2-chloroheptyl)decanamide has a molecular weight of 303.92 g/mol, XLogP of 5.42, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroheptyl)decanamide is sourced from PubChem (CID 57359712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).