N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C22H19ClN2O5 — CID 55812079

IUPACN-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H19ClN2O5/c1-2-19(26)14-5-8-16(9-6-14)30-13-21(27)24-17-10-7-15(23)12-18(17)25-22(28)20-4-3-11-29-20/h3-12H,2,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyYDMMEUHAORCDDN-UHFFFAOYSA-N
MW426.86 g/mol
LogP4.80
Rot. Bonds8

About N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 55812079) has the molecular formula C22H19ClN2O5 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID55812079
Molecular FormulaC22H19ClN2O5
Molecular Weight426.86 g/mol
Exact Mass426.10
IUPAC NameN-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H19ClN2O5/c1-2-19(26)14-5-8-16(9-6-14)30-13-21(27)24-17-10-7-15(23)12-18(17)25-22(28)20-4-3-11-29-20/h3-12H,2,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyYDMMEUHAORCDDN-UHFFFAOYSA-N
XLogP4.80
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
N-[2-chloro-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 23798450
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
N-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55307259
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855188
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 55812079) is N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is CCC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is YDMMEUHAORCDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5/c1-2-19(26)14-5-8-16(9-6-14)30-13-21(27)24-17-10-7-15(23)12-18(17)25-22(28)20-4-3-11-29-20/h3-12H,2,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55812079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).