3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide

C9H16ClNO2 — CID 106127897

IUPAC3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CCCl)NCC1CCC(O)C1
InChIInChI=1S/C9H16ClNO2/c10-4-3-9(13)11-6-7-1-2-8(12)5-7/h7-8,12H,1-6H2,(H,11,13)
InChIKeyBKBVTYAFOARVAH-UHFFFAOYSA-N
MW205.68 g/mol
LogP0.89
Rot. Bonds4

About 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide

3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide (PubChem CID 106127897) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
PubChem CID106127897
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CCCl)NCC1CCC(O)C1
InChIInChI=1S/C9H16ClNO2/c10-4-3-9(13)11-6-7-1-2-8(12)5-7/h7-8,12H,1-6H2,(H,11,13)
InChIKeyBKBVTYAFOARVAH-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.89
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

5-chloro-N-[(3-hydroxycyclopentyl)methyl]pentanamide
CID 106127901
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 66006731
N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 103279887
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103280152
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide (CID 106127897) is 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide is O=C(CCCl)NCC1CCC(O)C1.
What is the InChIKey of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is BKBVTYAFOARVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c10-4-3-9(13)11-6-7-1-2-8(12)5-7/h7-8,12H,1-6H2,(H,11,13).
What are the key properties of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 205.68 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 106127897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).