N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide

C29H17N5O7 — CID 167011128

IUPACN-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(/N=C/c2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)o2)cc1)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C29H17N5O7/c35-24(14-1-8-19-21(11-14)28(39)33-26(19)37)31-17-5-3-16(4-6-17)30-13-18-7-10-23(41-18)32-25(36)15-2-9-20-22(12-15)29(40)34-27(20)38/h1-13H,(H,31,35)(H,32,36)(H,33,37,39)(H,34,38,40)/b30-13+
InChIKeyAVLWOVOQWRTVIT-VVEOGCPPSA-N
MW547.48 g/mol
LogP3.30
Rot. Bonds6

About N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide

N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 167011128) has the molecular formula C29H17N5O7 and a molecular weight of 547.48 g/mol. Its IUPAC name is N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID167011128
Molecular FormulaC29H17N5O7
Molecular Weight547.48 g/mol
Exact Mass547.11
IUPAC NameN-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(/N=C/c2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)o2)cc1)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C29H17N5O7/c35-24(14-1-8-19-21(11-14)28(39)33-26(19)37)31-17-5-3-16(4-6-17)30-13-18-7-10-23(41-18)32-25(36)15-2-9-20-22(12-15)29(40)34-27(20)38/h1-13H,(H,31,35)(H,32,36)(H,33,37,39)(H,34,38,40)/b30-13+
InChIKeyAVLWOVOQWRTVIT-VVEOGCPPSA-N
XLogP3.30
TPSA176.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.48
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211221
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen
CID 169211220
N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 99804576
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 28834338
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 130284062
4-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662519
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 167991021

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 167011128) is N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1ccc(/N=C/c2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)o2)cc1)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is AVLWOVOQWRTVIT-VVEOGCPPSA-N. The full InChI is InChI=1S/C29H17N5O7/c35-24(14-1-8-19-21(11-14)28(39)33-26(19)37)31-17-5-3-16(4-6-17)30-13-18-7-10-23(41-18)32-25(36)15-2-9-20-22(12-15)29(40)34-27(20)38/h1-13H,(H,31,35)(H,32,36)(H,33,37,39)(H,34,38,40)/b30-13+.
What are the key properties of N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide?
N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 547.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 167011128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).