4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide

C13H14F2N2O2 — CID 79210360

IUPAC4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccccc2OC(F)F)C1
InChIInChI=1S/C13H14F2N2O2/c14-13(15)19-11-4-2-1-3-10(11)17-12(18)8-5-6-9(16)7-8/h1-6,8-9,13H,7,16H2,(H,17,18)
InChIKeySRVMULAFKNXWTN-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.13
Rot. Bonds4

About 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210360) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210360
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccccc2OC(F)F)C1
InChIInChI=1S/C13H14F2N2O2/c14-13(15)19-11-4-2-1-3-10(11)17-12(18)8-5-6-9(16)7-8/h1-6,8-9,13H,7,16H2,(H,17,18)
InChIKeySRVMULAFKNXWTN-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.13
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

4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211303
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
(1S,2S,3S,4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51008155
N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-6-chlorobenzoic acid
CID 79208298
N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310218
N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
CID 63102211
N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257880
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3529146
4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208809
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide (CID 79210360) is 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccccc2OC(F)F)C1.
What is the InChIKey of 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is SRVMULAFKNXWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-13(15)19-11-4-2-1-3-10(11)17-12(18)8-5-6-9(16)7-8/h1-6,8-9,13H,7,16H2,(H,17,18).
What are the key properties of 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).