2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide

C8H14ClNO2 — CID 178190561

IUPAC2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(CCl)N[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C8H14ClNO2/c9-4-8(12)10-7-2-1-6(3-7)5-11/h6-7,11H,1-5H2,(H,10,12)/t6-,7+/m0/s1
InChIKeyPWTJBMDVWFCDDD-NKWVEPMBSA-N
MW191.66 g/mol
LogP0.50
Rot. Bonds3

About 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide

2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 178190561) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID178190561
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(CCl)N[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C8H14ClNO2/c9-4-8(12)10-7-2-1-6(3-7)5-11/h6-7,11H,1-5H2,(H,10,12)/t6-,7+/m0/s1
InChIKeyPWTJBMDVWFCDDD-NKWVEPMBSA-N
XLogP0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.50
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

[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998
[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 20729705
[(3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 89477249
tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate
CID 140814395
2-chloro-N-cyclododecylacetamide
CID 4285747
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107
N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide
CID 164662164
2-chloro-N-(thian-4-yl)acetamide
CID 115879873
2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide
CID 66565735
N-(3-aminocyclopentyl)propanamide
CID 83619264
2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 43424767
N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide
CID 112752762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide (CID 178190561) is 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide is O=C(CCl)N[C@@H]1CC[C@H](CO)C1.
What is the InChIKey of 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is PWTJBMDVWFCDDD-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14ClNO2/c9-4-8(12)10-7-2-1-6(3-7)5-11/h6-7,11H,1-5H2,(H,10,12)/t6-,7+/m0/s1.
What are the key properties of 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide?
2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 191.66 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 178190561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).