3-chloro-N-pentan-3-ylpropanamide

C8H16ClNO — CID 16783824

IUPAC3-chloro-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCCl
InChIInChI=1S/C8H16ClNO/c1-3-7(4-2)10-8(11)5-6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyIBUBRZAPJOFKEC-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.92
Rot. Bonds5

About 3-chloro-N-pentan-3-ylpropanamide

3-chloro-N-pentan-3-ylpropanamide (PubChem CID 16783824) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 3-chloro-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-chloro-N-pentan-3-ylpropanamide
PubChem CID16783824
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name3-chloro-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCCl
InChIInChI=1S/C8H16ClNO/c1-3-7(4-2)10-8(11)5-6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyIBUBRZAPJOFKEC-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-pentan-3-ylbutanamide
CID 16788679
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
N-pentan-3-yldocosanamide
CID 123339332
N-(1-chlorobutan-2-yl)-4-methylpentanamide
CID 114294455
3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
CID 106186140
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
ethyl 2-(3-chloropropanoylamino)-3-methylpentanoate
CID 82110698
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 43695730
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630200
5-amino-N-pentan-3-ylhexanamide
CID 82848944

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pentan-3-ylpropanamide?
The IUPAC name of 3-chloro-N-pentan-3-ylpropanamide (CID 16783824) is 3-chloro-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-chloro-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-chloro-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-pentan-3-ylpropanamide?
The InChIKey is IBUBRZAPJOFKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-3-7(4-2)10-8(11)5-6-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-chloro-N-pentan-3-ylpropanamide?
3-chloro-N-pentan-3-ylpropanamide 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 3-chloro-N-pentan-3-ylpropanamide is sourced from PubChem (CID 16783824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).