2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide

C9H16ClNO2 — CID 65105224

IUPAC2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(Cl)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C9H16ClNO2/c1-7(10)8(12)11-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3,(H,11,12)
InChIKeyPEDMNBGSMOHMJD-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.03
Rot. Bonds3

About 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide

2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 65105224) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID65105224
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(Cl)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C9H16ClNO2/c1-7(10)8(12)11-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3,(H,11,12)
InChIKeyPEDMNBGSMOHMJD-UHFFFAOYSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.03
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

N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
CID 115626883
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
2-ethoxy-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331443
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 65105279
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 65105224) is 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide is CC(Cl)C(=O)NCC1(O)CCCC1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is PEDMNBGSMOHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-7(10)8(12)11-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide?
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 205.68 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 65105224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).