N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide

C24H21Br2N3O4 — CID 4504600

IUPACN-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1
InChIInChI=1S/C24H21Br2N3O4/c1-14-5-3-4-6-19(14)24(32)27-18-9-7-16(8-10-18)23(31)29-28-21(30)13-33-22-15(2)11-17(25)12-20(22)26/h3-12H,13H2,1-2H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyDXDDMWAURHPNAS-UHFFFAOYSA-N
MW575.26 g/mol
LogP4.92
Rot. Bonds6

About N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide

N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 4504600) has the molecular formula C24H21Br2N3O4 and a molecular weight of 575.26 g/mol. Its IUPAC name is N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID4504600
Molecular FormulaC24H21Br2N3O4
Molecular Weight575.26 g/mol
Exact Mass572.99
IUPAC NameN-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1
InChIInChI=1S/C24H21Br2N3O4/c1-14-5-3-4-6-19(14)24(32)27-18-9-7-16(8-10-18)23(31)29-28-21(30)13-33-22-15(2)11-17(25)12-20(22)26/h3-12H,13H2,1-2H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyDXDDMWAURHPNAS-UHFFFAOYSA-N
XLogP4.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.26
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 3287161
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
4-[[2-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 17296347
3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide
CID 4504590
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-propan-2-yloxybenzohydrazide
CID 17142573
N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4509981
2-bromo-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3381490
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
N-[4-[[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3342780
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946860
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide (CID 4504600) is N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1.
What is the InChIKey of N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is DXDDMWAURHPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Br2N3O4/c1-14-5-3-4-6-19(14)24(32)27-18-9-7-16(8-10-18)23(31)29-28-21(30)13-33-22-15(2)11-17(25)12-20(22)26/h3-12H,13H2,1-2H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 575.26 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 4504600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).