N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide

C22H18BrN3O5 — CID 30156322

IUPACN-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)NNC(=O)c1ccccc1O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O5/c23-14-9-11-15(12-10-14)24-20(28)13-31-19-8-4-2-6-17(19)22(30)26-25-21(29)16-5-1-3-7-18(16)27/h1-12,27H,13H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyAUXWMTRIUJFSRO-UHFFFAOYSA-N
MW484.31 g/mol
LogP3.25
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide

N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide (PubChem CID 30156322) has the molecular formula C22H18BrN3O5 and a molecular weight of 484.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
PubChem CID30156322
Molecular FormulaC22H18BrN3O5
Molecular Weight484.31 g/mol
Exact Mass483.04
IUPAC NameN-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)NNC(=O)c1ccccc1O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O5/c23-14-9-11-15(12-10-14)24-20(28)13-31-19-8-4-2-6-17(19)22(30)26-25-21(29)16-5-1-3-7-18(16)27/h1-12,27H,13H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyAUXWMTRIUJFSRO-UHFFFAOYSA-N
XLogP3.25
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.31
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 4216558
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
CID 46937202
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
[2-(benzylamino)-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 42965792
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-[2-(hydrazinecarbonyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 54793411
2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
CID 60905403

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide (CID 30156322) is N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide is O=C(COc1ccccc1C(=O)NNC(=O)c1ccccc1O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide?
The InChIKey is AUXWMTRIUJFSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O5/c23-14-9-11-15(12-10-14)24-20(28)13-31-19-8-4-2-6-17(19)22(30)26-25-21(29)16-5-1-3-7-18(16)27/h1-12,27H,13H2,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide?
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide has a molecular weight of 484.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide is sourced from PubChem (CID 30156322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).