3-chloroheptanamide

C7H14ClNO — CID 174735984

IUPAC3-chloroheptanamide
SMILESCCCCC(Cl)CC(N)=O
InChIInChI=1S/C7H14ClNO/c1-2-3-4-6(8)5-7(9)10/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyQFUHUMSKDBCYMI-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.66
Rot. Bonds5

About 3-chloroheptanamide

3-chloroheptanamide (PubChem CID 174735984) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 3-chloroheptanamide.

Molecular Properties

Compound Name3-chloroheptanamide
PubChem CID174735984
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name3-chloroheptanamide
SMILESCCCCC(Cl)CC(N)=O
InChIInChI=1S/C7H14ClNO/c1-2-3-4-6(8)5-7(9)10/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyQFUHUMSKDBCYMI-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.66
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

4-chloro-3-propyloctanamide
CID 174612729
3-(methylamino)heptanamide
CID 65236742
5-chlorononane;phosphoric acid
CID 88768187
3-chloro-1-phenylheptan-1-one
CID 11775823
3-aminoundecanamide
CID 154005326
3-tetradecylheptadecanamide
CID 89491134
3-propyloctanamide
CID 87886173
8-chlorododecyl acetate
CID 527906
2-(2-chloroheptyl)decanamide
CID 57359712
5,8-dichlorododecane-6,7-dione
CID 140986134
2-butylpropanediamide
CID 2317243
3-chloroheptane;hexanedioic acid
CID 175529781

Frequently Asked Questions

What is the IUPAC name of 3-chloroheptanamide?
The IUPAC name of 3-chloroheptanamide (CID 174735984) is 3-chloroheptanamide.
What is the SMILES notation for 3-chloroheptanamide?
The canonical SMILES for 3-chloroheptanamide is CCCCC(Cl)CC(N)=O.
What is the InChIKey of 3-chloroheptanamide?
The InChIKey is QFUHUMSKDBCYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-2-3-4-6(8)5-7(9)10/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of 3-chloroheptanamide?
3-chloroheptanamide has a molecular weight of 163.65 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroheptanamide is sourced from PubChem (CID 174735984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).