3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide

C15H17Cl2NO2 — CID 111661405

IUPAC3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H17Cl2NO2/c16-13-3-1-2-11(15(13)17)5-7-14(20)18-12-6-4-10(8-12)9-19/h1-4,6,10,12,19H,5,7-9H2,(H,18,20)/t10-,12+/m0/s1
InChIKeyOBTVAMWTRVNPNP-CMPLNLGQSA-N
MW314.21 g/mol
LogP2.98
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide

3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide (PubChem CID 111661405) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
PubChem CID111661405
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H17Cl2NO2/c16-13-3-1-2-11(15(13)17)5-7-14(20)18-12-6-4-10(8-12)9-19/h1-4,6,10,12,19H,5,7-9H2,(H,18,20)/t10-,12+/m0/s1
InChIKeyOBTVAMWTRVNPNP-CMPLNLGQSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111661170
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide
CID 111661254
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111696845
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide
CID 111696857
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2,3-dichlorophenyl)propanamide
CID 47076999
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 111696975
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
N-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)propanamide
CID 50946051
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
CID 95118659
4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
CID 111860717

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide (CID 111661405) is 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide is O=C(CCc1cccc(Cl)c1Cl)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The InChIKey is OBTVAMWTRVNPNP-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-13-3-1-2-11(15(13)17)5-7-14(20)18-12-6-4-10(8-12)9-19/h1-4,6,10,12,19H,5,7-9H2,(H,18,20)/t10-,12+/m0/s1.
What are the key properties of 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide has a molecular weight of 314.21 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide is sourced from PubChem (CID 111661405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).