N-[7-[(2-chloroacetyl)amino]heptyl]propanamide

C12H23ClN2O2 — CID 163838006

IUPACN-[7-[(2-chloroacetyl)amino]heptyl]propanamide
SMILESCCC(=O)NCCCCCCCNC(=O)CCl
InChIInChI=1S/C12H23ClN2O2/c1-2-11(16)14-8-6-4-3-5-7-9-15-12(17)10-13/h2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyOJMGVGYXRUBYDW-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.82
Rot. Bonds10

About N-[7-[(2-chloroacetyl)amino]heptyl]propanamide

N-[7-[(2-chloroacetyl)amino]heptyl]propanamide (PubChem CID 163838006) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-[7-[(2-chloroacetyl)amino]heptyl]propanamide.

Molecular Properties

Compound NameN-[7-[(2-chloroacetyl)amino]heptyl]propanamide
PubChem CID163838006
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC NameN-[7-[(2-chloroacetyl)amino]heptyl]propanamide
SMILESCCC(=O)NCCCCCCCNC(=O)CCl
InChIInChI=1S/C12H23ClN2O2/c1-2-11(16)14-8-6-4-3-5-7-9-15-12(17)10-13/h2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyOJMGVGYXRUBYDW-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-chloro-N-dotriacontylacetamide
CID 163206961
ethane;N-undecylpropanamide
CID 155706114
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
N-(12-oxotridecyl)propanamide
CID 171540592
11-(propanoylamino)undecanamide
CID 89244012
ethane;methanethiol;N-nonylpropanamide
CID 177150000
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N-(5-methylsulfanylpentyl)propanamide
CID 104920124
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2-chloroacetyl)amino]heptyl]propanamide?
The IUPAC name of N-[7-[(2-chloroacetyl)amino]heptyl]propanamide (CID 163838006) is N-[7-[(2-chloroacetyl)amino]heptyl]propanamide.
What is the SMILES notation for N-[7-[(2-chloroacetyl)amino]heptyl]propanamide?
The canonical SMILES for N-[7-[(2-chloroacetyl)amino]heptyl]propanamide is CCC(=O)NCCCCCCCNC(=O)CCl.
What is the InChIKey of N-[7-[(2-chloroacetyl)amino]heptyl]propanamide?
The InChIKey is OJMGVGYXRUBYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2/c1-2-11(16)14-8-6-4-3-5-7-9-15-12(17)10-13/h2-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[7-[(2-chloroacetyl)amino]heptyl]propanamide?
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide has a molecular weight of 262.78 g/mol, XLogP of 1.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2-chloroacetyl)amino]heptyl]propanamide is sourced from PubChem (CID 163838006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).