2-chloro-N-(cyclohexylcarbamoyl)propanamide

C10H17ClN2O2 — CID 3827198

IUPAC2-chloro-N-(cyclohexylcarbamoyl)propanamide
SMILESCC(Cl)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C10H17ClN2O2/c1-7(11)9(14)13-10(15)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyOQFYKJXOOAHKPK-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.77
Rot. Bonds2

About 2-chloro-N-(cyclohexylcarbamoyl)propanamide

2-chloro-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 3827198) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylcarbamoyl)propanamide
PubChem CID3827198
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name2-chloro-N-(cyclohexylcarbamoyl)propanamide
SMILESCC(Cl)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C10H17ClN2O2/c1-7(11)9(14)13-10(15)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyOQFYKJXOOAHKPK-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
CID 94157804
ethyl 4-(2-chloropropanoylcarbamoylamino)piperidine-1-carboxylate
CID 43328963
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863511
(2S)-N-(cyclohexylcarbamoyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 8896287
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide
CID 62410358
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 11921069
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of 2-chloro-N-(cyclohexylcarbamoyl)propanamide (CID 3827198) is 2-chloro-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for 2-chloro-N-(cyclohexylcarbamoyl)propanamide is CC(Cl)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-chloro-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is OQFYKJXOOAHKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-7(11)9(14)13-10(15)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-chloro-N-(cyclohexylcarbamoyl)propanamide?
2-chloro-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 232.71 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 3827198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).