5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C19H13BrCl2N2O4 — CID 4873374

IUPAC5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C19H13BrCl2N2O4/c20-17-7-6-16(28-17)19(26)24-13-3-1-2-12(9-13)23-18(25)10-27-15-5-4-11(21)8-14(15)22/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyQGRVABJLMRGGIU-UHFFFAOYSA-N
MW484.13 g/mol
LogP5.62
Rot. Bonds6

About 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 4873374) has the molecular formula C19H13BrCl2N2O4 and a molecular weight of 484.13 g/mol. Its IUPAC name is 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID4873374
Molecular FormulaC19H13BrCl2N2O4
Molecular Weight484.13 g/mol
Exact Mass481.94
IUPAC Name5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C19H13BrCl2N2O4/c20-17-7-6-16(28-17)19(26)24-13-3-1-2-12(9-13)23-18(25)10-27-15-5-4-11(21)8-14(15)22/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyQGRVABJLMRGGIU-UHFFFAOYSA-N
XLogP5.62
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.13
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide
CID 4926231
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
N-[3-[[2-(2,5-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 24647647
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161184
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 4873374) is 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is QGRVABJLMRGGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrCl2N2O4/c20-17-7-6-16(28-17)19(26)24-13-3-1-2-12(9-13)23-18(25)10-27-15-5-4-11(21)8-14(15)22/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 484.13 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 4873374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).