4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide

C25H21N3O3 — CID 141323890

IUPAC4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
SMILESNc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1
InChIInChI=1S/C25H21N3O3/c26-18-3-1-5-23(15-18)30-21-11-7-17(8-12-21)25(29)28-20-9-13-22(14-10-20)31-24-6-2-4-19(27)16-24/h1-16H,26-27H2,(H,28,29)
InChIKeySUWPAJCOHPVLAT-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.69
Rot. Bonds6

About 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide

4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide (PubChem CID 141323890) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
PubChem CID141323890
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
SMILESNc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1
InChIInChI=1S/C25H21N3O3/c26-18-3-1-5-23(15-18)30-21-11-7-17(8-12-21)25(29)28-20-9-13-22(14-10-20)31-24-6-2-4-19(27)16-24/h1-16H,26-27H2,(H,28,29)
InChIKeySUWPAJCOHPVLAT-UHFFFAOYSA-N
XLogP5.69
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
CID 102447265
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide
CID 157366333
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
CID 177406182

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide?
The IUPAC name of 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide (CID 141323890) is 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide.
What is the SMILES notation for 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide?
The canonical SMILES for 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide is Nc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1.
What is the InChIKey of 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide?
The InChIKey is SUWPAJCOHPVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c26-18-3-1-5-23(15-18)30-21-11-7-17(8-12-21)25(29)28-20-9-13-22(14-10-20)31-24-6-2-4-19(27)16-24/h1-16H,26-27H2,(H,28,29).
What are the key properties of 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide?
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide is sourced from PubChem (CID 141323890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).