2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide

C16H17F2NO2 — CID 111697111

IUPAC2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO2/c17-10-2-4-15(18)13(6-10)12-7-14(12)16(21)19-11-3-1-9(5-11)8-20/h1-4,6,9,11-12,14,20H,5,7-8H2,(H,19,21)/t9-,11+,12?,14?/m0/s1
InChIKeyMCBALYOGSNRFRC-CGPVLUSTSA-N
MW293.31 g/mol
LogP2.12
Rot. Bonds4

About 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide (PubChem CID 111697111) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
PubChem CID111697111
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO2/c17-10-2-4-15(18)13(6-10)12-7-14(12)16(21)19-11-3-1-9(5-11)8-20/h1-4,6,9,11-12,14,20H,5,7-8H2,(H,19,21)/t9-,11+,12?,14?/m0/s1
InChIKeyMCBALYOGSNRFRC-CGPVLUSTSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.12
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

2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111661170
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111697167
1-[2-(2,4-difluorophenyl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631011
trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 95782949
2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
CID 111539652

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide (CID 111697111) is 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-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)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide?
The InChIKey is MCBALYOGSNRFRC-CGPVLUSTSA-N. The full InChI is InChI=1S/C16H17F2NO2/c17-10-2-4-15(18)13(6-10)12-7-14(12)16(21)19-11-3-1-9(5-11)8-20/h1-4,6,9,11-12,14,20H,5,7-8H2,(H,19,21)/t9-,11+,12?,14?/m0/s1.
What are the key properties of 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111697111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).