4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide

C23H18N4O4 — CID 56545246

IUPAC4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C23H18N4O4/c24-21(28)14-5-9-16(10-6-14)31-17-11-7-15(8-12-17)22(29)26-27-23(30)19-13-25-20-4-2-1-3-18(19)20/h1-13,25H,(H2,24,28)(H,26,29)(H,27,30)
InChIKeyUIMXCHXWSFJNJB-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.13
Rot. Bonds5

About 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide

4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide (PubChem CID 56545246) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide
PubChem CID56545246
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C23H18N4O4/c24-21(28)14-5-9-16(10-6-14)31-17-11-7-15(8-12-17)22(29)26-27-23(30)19-13-25-20-4-2-1-3-18(19)20/h1-13,25H,(H2,24,28)(H,26,29)(H,27,30)
InChIKeyUIMXCHXWSFJNJB-UHFFFAOYSA-N
XLogP3.13
TPSA126.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide
CID 7931301
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide
CID 30144291
4-(4-carbamoylphenoxy)benzamide
CID 156597124
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide
CID 29494435
N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455952
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide (CID 56545246) is 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide?
The InChIKey is UIMXCHXWSFJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c24-21(28)14-5-9-16(10-6-14)31-17-11-7-15(8-12-17)22(29)26-27-23(30)19-13-25-20-4-2-1-3-18(19)20/h1-13,25H,(H2,24,28)(H,26,29)(H,27,30).
What are the key properties of 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide?
4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide has a molecular weight of 414.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).