N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide

C13H13F3N2O5 — CID 142923818

IUPACN,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C2=CC(O)C(C(=O)NO)N2)cc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O5/c1-22-9-3-2-6(4-10(9)23-13(14,15)16)7-5-8(19)11(17-7)12(20)18-21/h2-5,8,11,17,19,21H,1H3,(H,18,20)
InChIKeyVEYOEVCTXNFUCN-UHFFFAOYSA-N
MW334.25 g/mol
LogP0.77
Rot. Bonds4

About N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide

N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 142923818) has the molecular formula C13H13F3N2O5 and a molecular weight of 334.25 g/mol. Its IUPAC name is N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide
PubChem CID142923818
Molecular FormulaC13H13F3N2O5
Molecular Weight334.25 g/mol
Exact Mass334.08
IUPAC NameN,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C2=CC(O)C(C(=O)NO)N2)cc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O5/c1-22-9-3-2-6(4-10(9)23-13(14,15)16)7-5-8(19)11(17-7)12(20)18-21/h2-5,8,11,17,19,21H,1H3,(H,18,20)
InChIKeyVEYOEVCTXNFUCN-UHFFFAOYSA-N
XLogP0.77
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-1-[4-methoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85079953
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 154373280
2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
CID 168525465
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
3-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-methylprop-2-enoic acid
CID 123489109
4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline
CID 66616189
methyl 4-pyridin-4-yl-2-(trifluoromethoxy)benzoate
CID 46317670
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide (CID 142923818) is N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide is COc1ccc(C2=CC(O)C(C(=O)NO)N2)cc1OC(F)(F)F.
What is the InChIKey of N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is VEYOEVCTXNFUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O5/c1-22-9-3-2-6(4-10(9)23-13(14,15)16)7-5-8(19)11(17-7)12(20)18-21/h2-5,8,11,17,19,21H,1H3,(H,18,20).
What are the key properties of N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide?
N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 334.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 142923818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).