5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide

C18H11Br2ClN2O5 — CID 19457031

IUPAC5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C18H11Br2ClN2O5/c19-12-7-10(23(25)26)8-13(20)17(12)22-18(24)16-6-5-11(28-16)9-27-15-4-2-1-3-14(15)21/h1-8H,9H2,(H,22,24)
InChIKeyCEOJECQDDCMWCT-UHFFFAOYSA-N
MW530.56 g/mol
LogP6.20
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide (PubChem CID 19457031) has the molecular formula C18H11Br2ClN2O5 and a molecular weight of 530.56 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
PubChem CID19457031
Molecular FormulaC18H11Br2ClN2O5
Molecular Weight530.56 g/mol
Exact Mass527.87
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C18H11Br2ClN2O5/c19-12-7-10(23(25)26)8-13(20)17(12)22-18(24)16-6-5-11(28-16)9-27-15-4-2-1-3-14(15)21/h1-8H,9H2,(H,22,24)
InChIKeyCEOJECQDDCMWCT-UHFFFAOYSA-N
XLogP6.20
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.56
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
5-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19458705
2-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)pyrazole-3-carboxamide
CID 19507024
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
methyl 4-[[5-[(2,6-dibromo-4-nitrophenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448964
5-[(2-chlorophenoxy)methyl]-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan-2-carboxamide
CID 19458779
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19459722
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
5-[(2-bromophenoxy)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19450327
5-[(4-butan-2-ylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19450446
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19452993

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide (CID 19457031) is 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide is O=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is CEOJECQDDCMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2ClN2O5/c19-12-7-10(23(25)26)8-13(20)17(12)22-18(24)16-6-5-11(28-16)9-27-15-4-2-1-3-14(15)21/h1-8H,9H2,(H,22,24).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 530.56 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19457031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).