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

C16H17Cl2NO2 — CID 111661170

IUPAC2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2NO2/c17-14-3-1-2-11(15(14)18)12-7-13(12)16(21)19-10-5-4-9(6-10)8-20/h1-5,9-10,12-13,20H,6-8H2,(H,19,21)/t9-,10+,12?,13?/m0/s1
InChIKeyBYRGXKWEAMTHFP-YSARLGLZSA-N
MW326.22 g/mol
LogP3.15
Rot. Bonds4

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

2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide (PubChem CID 111661170) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
PubChem CID111661170
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2NO2/c17-14-3-1-2-11(15(14)18)12-7-13(12)16(21)19-10-5-4-9(6-10)8-20/h1-5,9-10,12-13,20H,6-8H2,(H,19,21)/t9-,10+,12?,13?/m0/s1
InChIKeyBYRGXKWEAMTHFP-YSARLGLZSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide (CID 111661170) is 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)C1CC1c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide?
The InChIKey is BYRGXKWEAMTHFP-YSARLGLZSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c17-14-3-1-2-11(15(14)18)12-7-13(12)16(21)19-10-5-4-9(6-10)8-20/h1-5,9-10,12-13,20H,6-8H2,(H,19,21)/t9-,10+,12?,13?/m0/s1.
What are the key properties of 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide?
2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111661170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).