3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide

C12H22ClNO — CID 81391715

IUPAC3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
SMILESC[C@H](NC(=O)CCCl)C1CCCCCC1
InChIInChI=1S/C12H22ClNO/c1-10(14-12(15)8-9-13)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyRJCIZTVYELWJSZ-JTQLQIEISA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds4

About 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide

3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide (PubChem CID 81391715) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
PubChem CID81391715
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
SMILESC[C@H](NC(=O)CCCl)C1CCCCCC1
InChIInChI=1S/C12H22ClNO/c1-10(14-12(15)8-9-13)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyRJCIZTVYELWJSZ-JTQLQIEISA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.09
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

N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
CID 81393682
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
CID 81386458
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
5-amino-N-(1-cyclohexylethyl)-4-methylpentanamide
CID 82011673
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide?
The IUPAC name of 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide (CID 81391715) is 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide is C[C@H](NC(=O)CCCl)C1CCCCCC1.
What is the InChIKey of 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide?
The InChIKey is RJCIZTVYELWJSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22ClNO/c1-10(14-12(15)8-9-13)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide?
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide is sourced from PubChem (CID 81391715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).