N-[2-(3-chloropropanoylamino)ethyl]pentanamide

C10H19ClN2O2 — CID 108573823

IUPACN-[2-(3-chloropropanoylamino)ethyl]pentanamide
SMILESCCCCC(=O)NCCNC(=O)CCCl
InChIInChI=1S/C10H19ClN2O2/c1-2-3-4-9(14)12-7-8-13-10(15)5-6-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyXUAOYAYUVLALDL-UHFFFAOYSA-N
MW234.73 g/mol
LogP1.04
Rot. Bonds8

About N-[2-(3-chloropropanoylamino)ethyl]pentanamide

N-[2-(3-chloropropanoylamino)ethyl]pentanamide (PubChem CID 108573823) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N-[2-(3-chloropropanoylamino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3-chloropropanoylamino)ethyl]pentanamide
PubChem CID108573823
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC NameN-[2-(3-chloropropanoylamino)ethyl]pentanamide
SMILESCCCCC(=O)NCCNC(=O)CCCl
InChIInChI=1S/C10H19ClN2O2/c1-2-3-4-9(14)12-7-8-13-10(15)5-6-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyXUAOYAYUVLALDL-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 51.04
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'}

Analyze N-[2-(3-chloropropanoylamino)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-chlorobutanamide
CID 4218503
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
N-butyl-5-chloropentanamide
CID 28733165
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-(3-chloropropyl)dodecanamide
CID 17164369
5-chloro-N-nonylpentanamide
CID 91692760
N-(5-chloropentyl)dodecanamide
CID 107321143
N-tetradecylpentanamide
CID 87172595
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
N-(2-bromoethyl)pentanamide
CID 43133425
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloropropanoylamino)ethyl]pentanamide?
The IUPAC name of N-[2-(3-chloropropanoylamino)ethyl]pentanamide (CID 108573823) is N-[2-(3-chloropropanoylamino)ethyl]pentanamide.
What is the SMILES notation for N-[2-(3-chloropropanoylamino)ethyl]pentanamide?
The canonical SMILES for N-[2-(3-chloropropanoylamino)ethyl]pentanamide is CCCCC(=O)NCCNC(=O)CCCl.
What is the InChIKey of N-[2-(3-chloropropanoylamino)ethyl]pentanamide?
The InChIKey is XUAOYAYUVLALDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-2-3-4-9(14)12-7-8-13-10(15)5-6-11/h2-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[2-(3-chloropropanoylamino)ethyl]pentanamide?
N-[2-(3-chloropropanoylamino)ethyl]pentanamide has a molecular weight of 234.73 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloropropanoylamino)ethyl]pentanamide is sourced from PubChem (CID 108573823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).