N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide

C25H24BrN3O5 — CID 17357383

IUPACN-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C25H24BrN3O5/c1-16-5-3-4-6-20(16)24(31)27-19-10-7-17(8-11-19)23(30)28-29-25(32)21-15-18(26)9-12-22(21)34-14-13-33-2/h3-12,15H,13-14H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyRYDHRFCVSWFHDF-UHFFFAOYSA-N
MW526.39 g/mol
LogP4.11
Rot. Bonds8

About N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide

N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 17357383) has the molecular formula C25H24BrN3O5 and a molecular weight of 526.39 g/mol. Its IUPAC name is N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID17357383
Molecular FormulaC25H24BrN3O5
Molecular Weight526.39 g/mol
Exact Mass525.09
IUPAC NameN-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C25H24BrN3O5/c1-16-5-3-4-6-20(16)24(31)27-19-10-7-17(8-11-19)23(30)28-29-25(32)21-15-18(26)9-12-22(21)34-14-13-33-2/h3-12,15H,13-14H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyRYDHRFCVSWFHDF-UHFFFAOYSA-N
XLogP4.11
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.39
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
3-bromo-4-(2-methoxyethoxy)-N-[4-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 17251662
5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
CID 17357345
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17350275
5-bromo-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051325
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17357411
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43887620
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide (CID 17357383) is N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide is COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is RYDHRFCVSWFHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O5/c1-16-5-3-4-6-20(16)24(31)27-19-10-7-17(8-11-19)23(30)28-29-25(32)21-15-18(26)9-12-22(21)34-14-13-33-2/h3-12,15H,13-14H2,1-2H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 526.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 17357383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).