N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide

C25H19N3O5 — CID 56545953

IUPACN-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2)cc1
InChIInChI=1S/C25H19N3O5/c26-23(29)16-3-11-20(12-4-16)33-21-13-5-17(6-14-21)24(30)27-18-7-9-19(10-8-18)28-25(31)22-2-1-15-32-22/h1-15H,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyIYUPVSXVQNAHQH-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.68
Rot. Bonds7

About N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide

N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 56545953) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide
PubChem CID56545953
Molecular FormulaC25H19N3O5
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC NameN-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2)cc1
InChIInChI=1S/C25H19N3O5/c26-23(29)16-3-11-20(12-4-16)33-21-13-5-17(6-14-21)24(30)27-18-7-9-19(10-8-18)28-25(31)22-2-1-15-32-22/h1-15H,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyIYUPVSXVQNAHQH-UHFFFAOYSA-N
XLogP4.68
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
CID 26190079
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide (CID 56545953) is N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide is NC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is IYUPVSXVQNAHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5/c26-23(29)16-3-11-20(12-4-16)33-21-13-5-17(6-14-21)24(30)27-18-7-9-19(10-8-18)28-25(31)22-2-1-15-32-22/h1-15H,(H2,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56545953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).