4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid

C19H13Cl2NO5 — CID 126203909

IUPAC4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C19H13Cl2NO5/c20-12-3-7-16(15(21)9-12)26-10-14-6-8-17(27-14)18(23)22-13-4-1-11(2-5-13)19(24)25/h1-9H,10H2,(H,22,23)(H,24,25)
InChIKeyMCPJPVGSCJSOMR-UHFFFAOYSA-N
MW406.22 g/mol
LogP5.12
Rot. Bonds6

About 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid

4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid (PubChem CID 126203909) has the molecular formula C19H13Cl2NO5 and a molecular weight of 406.22 g/mol. Its IUPAC name is 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
PubChem CID126203909
Molecular FormulaC19H13Cl2NO5
Molecular Weight406.22 g/mol
Exact Mass405.02
IUPAC Name4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C19H13Cl2NO5/c20-12-3-7-16(15(21)9-12)26-10-14-6-8-17(27-14)18(23)22-13-4-1-11(2-5-13)19(24)25/h1-9H,10H2,(H,22,23)(H,24,25)
InChIKeyMCPJPVGSCJSOMR-UHFFFAOYSA-N
XLogP5.12
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.22
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19456853
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
CID 1269649
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415524
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19340719
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid (CID 126203909) is 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The InChIKey is MCPJPVGSCJSOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO5/c20-12-3-7-16(15(21)9-12)26-10-14-6-8-17(27-14)18(23)22-13-4-1-11(2-5-13)19(24)25/h1-9H,10H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid has a molecular weight of 406.22 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 126203909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).