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

C14H18ClNO2 — CID 65105279

IUPAC2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
SMILESO=C(NCC1(O)CCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C14H18ClNO2/c15-12(11-6-2-1-3-7-11)13(17)16-10-14(18)8-4-5-9-14/h1-3,6-7,12,18H,4-5,8-10H2,(H,16,17)
InChIKeyQYMNNBDLHUGLED-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.39
Rot. Bonds4

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

2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide (PubChem CID 65105279) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
PubChem CID65105279
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
SMILESO=C(NCC1(O)CCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C14H18ClNO2/c15-12(11-6-2-1-3-7-11)13(17)16-10-14(18)8-4-5-9-14/h1-3,6-7,12,18H,4-5,8-10H2,(H,16,17)
InChIKeyQYMNNBDLHUGLED-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.39
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

2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 65120712
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
2-cyclopentyloxy-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 111332884
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331233
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
CID 64868042
(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65120039

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide (CID 65105279) is 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide is O=C(NCC1(O)CCCC1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide?
The InChIKey is QYMNNBDLHUGLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12(11-6-2-1-3-7-11)13(17)16-10-14(18)8-4-5-9-14/h1-3,6-7,12,18H,4-5,8-10H2,(H,16,17).
What are the key properties of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide?
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide has a molecular weight of 267.76 g/mol, XLogP of 2.39, 4 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]-2-phenylacetamide is sourced from PubChem (CID 65105279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).