2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

C15H17F2NO3 — CID 111696975

IUPAC2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESO=C(Cc1ccccc1OC(F)F)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H17F2NO3/c16-15(17)21-13-4-2-1-3-11(13)8-14(20)18-12-6-5-10(7-12)9-19/h1-6,10,12,15,19H,7-9H2,(H,18,20)/t10-,12+/m0/s1
InChIKeyNDSRDZBLJIKHBA-CMPLNLGQSA-N
MW297.30 g/mol
LogP1.88
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (PubChem CID 111696975) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
PubChem CID111696975
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESO=C(Cc1ccccc1OC(F)F)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H17F2NO3/c16-15(17)21-13-4-2-1-3-11(13)8-14(20)18-12-6-5-10(7-12)9-19/h1-6,10,12,15,19H,7-9H2,(H,18,20)/t10-,12+/m0/s1
InChIKeyNDSRDZBLJIKHBA-CMPLNLGQSA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119225812
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide
CID 111696739
2-cyclopropyl-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]acetic acid
CID 119214054
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111661167
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 120505995
1-(4-fluoro-2-methoxyphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631374
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310
N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
CID 111696877
2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 126784719
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110019212

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (CID 111696975) is 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is O=C(Cc1ccccc1OC(F)F)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The InChIKey is NDSRDZBLJIKHBA-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-15(17)21-13-4-2-1-3-11(13)8-14(20)18-12-6-5-10(7-12)9-19/h1-6,10,12,15,19H,7-9H2,(H,18,20)/t10-,12+/m0/s1.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide has a molecular weight of 297.30 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 111696975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).