N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide

C20H17Cl2NO5 — CID 167777956

IUPACN-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OCC(O)COc2c(Cl)cccc2Cl)cc1)c1ccco1
InChIInChI=1S/C20H17Cl2NO5/c21-16-3-1-4-17(22)19(16)28-12-14(24)11-27-15-8-6-13(7-9-15)23-20(25)18-5-2-10-26-18/h1-10,14,24H,11-12H2,(H,23,25)
InChIKeyQKJYLYHCHNQJER-UHFFFAOYSA-N
MW422.26 g/mol
LogP4.66
Rot. Bonds8

About N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide

N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide (PubChem CID 167777956) has the molecular formula C20H17Cl2NO5 and a molecular weight of 422.26 g/mol. Its IUPAC name is N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide
PubChem CID167777956
Molecular FormulaC20H17Cl2NO5
Molecular Weight422.26 g/mol
Exact Mass421.05
IUPAC NameN-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OCC(O)COc2c(Cl)cccc2Cl)cc1)c1ccco1
InChIInChI=1S/C20H17Cl2NO5/c21-16-3-1-4-17(22)19(16)28-12-14(24)11-27-15-8-6-13(7-9-15)23-20(25)18-5-2-10-26-18/h1-10,14,24H,11-12H2,(H,23,25)
InChIKeyQKJYLYHCHNQJER-UHFFFAOYSA-N
XLogP4.66
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.26
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide
CID 34531403
N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide
CID 46406954
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55307259
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide (CID 167777956) is N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide is O=C(Nc1ccc(OCC(O)COc2c(Cl)cccc2Cl)cc1)c1ccco1.
What is the InChIKey of N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide?
The InChIKey is QKJYLYHCHNQJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO5/c21-16-3-1-4-17(22)19(16)28-12-14(24)11-27-15-8-6-13(7-9-15)23-20(25)18-5-2-10-26-18/h1-10,14,24H,11-12H2,(H,23,25).
What are the key properties of N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide?
N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide has a molecular weight of 422.26 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 167777956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).