3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide

C9H15Cl2NO — CID 18526970

IUPAC3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
SMILESO=C(CCCl)NC1CCCC[C@@H]1Cl
InChIInChI=1S/C9H15Cl2NO/c10-6-5-9(13)12-8-4-2-1-3-7(8)11/h7-8H,1-6H2,(H,12,13)/t7-,8?/m0/s1
InChIKeyLBEMAZKONHSRED-JAMMHHFISA-N
MW224.13 g/mol
LogP2.28
Rot. Bonds3

About 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide

3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide (PubChem CID 18526970) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
PubChem CID18526970
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
SMILESO=C(CCCl)NC1CCCC[C@@H]1Cl
InChIInChI=1S/C9H15Cl2NO/c10-6-5-9(13)12-8-4-2-1-3-7(8)11/h7-8H,1-6H2,(H,12,13)/t7-,8?/m0/s1
InChIKeyLBEMAZKONHSRED-JAMMHHFISA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.28
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

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3-chloro-N-cycloheptylpropanamide
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N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
CID 114301183
N-[(2R)-2-chlorocyclohexyl]acetamide
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4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
4-[[2-(3-carboxypropanoylamino)cyclohexyl]amino]-4-oxobutanoic acid
CID 2913415
N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212652
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359885
N-(2-chlorocyclopentyl)-3-phenoxypropanamide
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N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide?
The IUPAC name of 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide (CID 18526970) is 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide is O=C(CCCl)NC1CCCC[C@@H]1Cl.
What is the InChIKey of 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide?
The InChIKey is LBEMAZKONHSRED-JAMMHHFISA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-6-5-9(13)12-8-4-2-1-3-7(8)11/h7-8H,1-6H2,(H,12,13)/t7-,8?/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide?
3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide has a molecular weight of 224.13 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide is sourced from PubChem (CID 18526970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).