2-chloro-N-methylheptanamide

C8H16ClNO — CID 62224207

IUPAC2-chloro-N-methylheptanamide
SMILESCCCCCC(Cl)C(=O)NC
InChIInChI=1S/C8H16ClNO/c1-3-4-5-6-7(9)8(11)10-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyHXBCBAOZERIHML-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.92
Rot. Bonds5

About 2-chloro-N-methylheptanamide

2-chloro-N-methylheptanamide (PubChem CID 62224207) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-methylheptanamide.

Molecular Properties

Compound Name2-chloro-N-methylheptanamide
PubChem CID62224207
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-methylheptanamide
SMILESCCCCCC(Cl)C(=O)NC
InChIInChI=1S/C8H16ClNO/c1-3-4-5-6-7(9)8(11)10-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyHXBCBAOZERIHML-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.92
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-chlorooctadecanoyl chloride
CID 20512617
2-amino-N-methyltetradecanamide
CID 88912425
2-ethyl-N-methyltetradecanamide
CID 161072731
2,4-dichlorononan-3-one
CID 91753635
chloromethyl 2-chlorodecanoate
CID 543259
9-chlorooctadecan-8-one
CID 54543005
5,8-dichlorododecane-6,7-dione
CID 140986134
N,2,4-trimethyldodecanamide
CID 17384180
(2R)-2-chlorohexanoic acid
CID 12732681
(2S)-2-(2-aminoethylamino)-N-methylheptanamide
CID 58592369
N-methyl-2-octadecylbutanediamide
CID 88809525
3-chloro-1,1,1-trifluorohexadecan-2-one
CID 18325945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylheptanamide?
The IUPAC name of 2-chloro-N-methylheptanamide (CID 62224207) is 2-chloro-N-methylheptanamide.
What is the SMILES notation for 2-chloro-N-methylheptanamide?
The canonical SMILES for 2-chloro-N-methylheptanamide is CCCCCC(Cl)C(=O)NC.
What is the InChIKey of 2-chloro-N-methylheptanamide?
The InChIKey is HXBCBAOZERIHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-3-4-5-6-7(9)8(11)10-2/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-chloro-N-methylheptanamide?
2-chloro-N-methylheptanamide has a molecular weight of 177.67 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylheptanamide is sourced from PubChem (CID 62224207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).