2-chloro-N-(octylcarbamoyl)acetamide

C11H21ClN2O2 — CID 19098898

IUPAC2-chloro-N-(octylcarbamoyl)acetamide
SMILESCCCCCCCCNC(=O)NC(=O)CCl
InChIInChI=1S/C11H21ClN2O2/c1-2-3-4-5-6-7-8-13-11(16)14-10(15)9-12/h2-9H2,1H3,(H2,13,14,15,16)
InChIKeyJNVWWRPWDXFFLS-UHFFFAOYSA-N
MW248.75 g/mol
LogP2.41
Rot. Bonds8

About 2-chloro-N-(octylcarbamoyl)acetamide

2-chloro-N-(octylcarbamoyl)acetamide (PubChem CID 19098898) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 2-chloro-N-(octylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(octylcarbamoyl)acetamide
PubChem CID19098898
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name2-chloro-N-(octylcarbamoyl)acetamide
SMILESCCCCCCCCNC(=O)NC(=O)CCl
InChIInChI=1S/C11H21ClN2O2/c1-2-3-4-5-6-7-8-13-11(16)14-10(15)9-12/h2-9H2,1H3,(H2,13,14,15,16)
InChIKeyJNVWWRPWDXFFLS-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 52.41
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

3-(2-Chloropropanoyl)-1-cyclohexylurea
CID 3827198
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
3-(2-Chloroacetyl)-1-propylurea
CID 2447349
N-(butylcarbamoyl)-2-chloroacetamide
CID 284923
2-chloro-N-(pentylcarbamoyl)acetamide
CID 19098902
1-(2-Chloroethyl)-3-octylurea
CID 19317734
2,2-dichloro-N-[5-(methylcarbamoylamino)pentyl]acetamide
CID 57957366
N-[(decylcarbamoylamino)methyl]acetamide
CID 154603535
2,2-dichloro-N-[5-(methylcarbamoylamino)pentyl]acetamide;propane
CID 158941499
(2S)-2-chloro-N-(cyclohexylcarbamoyl)propanamide
CID 2393268
(2R)-2-chloro-N-(cyclohexylcarbamoyl)propanamide
CID 2393269
2-chloro-N-(dodecylcarbamoyl)acetamide
CID 11001221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(octylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(octylcarbamoyl)acetamide (CID 19098898) is 2-chloro-N-(octylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(octylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(octylcarbamoyl)acetamide is CCCCCCCCNC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(octylcarbamoyl)acetamide?
The InChIKey is JNVWWRPWDXFFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O2/c1-2-3-4-5-6-7-8-13-11(16)14-10(15)9-12/h2-9H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-(octylcarbamoyl)acetamide?
2-chloro-N-(octylcarbamoyl)acetamide has a molecular weight of 248.75 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(octylcarbamoyl)acetamide is sourced from PubChem (CID 19098898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).