N-[[[4-[(5-Bromo-2-pyrimidinyl)oxy]-3-methylphenyl]amino]carbonyl]-2-[[2-(dimethylamino)acetyl]amino]benzamide

HCID 375124

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Basic information

CAS: 150096-70-1
Standard SMILES: Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)CN(C)C)ccc1Oc1ncc(Br)cn1
InChIKey: CJKOIHGIEJMVKX-UHFFFAOYSA-N
Molecular formula: C23H23BrN6O4
Average molar mass: 527.4 g/mol
Monoisotopic mass: 526.09642

Names & identifiers

Preferred name: N-[[[4-[(5-Bromo-2-pyrimidinyl)oxy]-3-methylphenyl]amino]carbonyl]-2-[[2-(dimethylamino)acetyl]amino]benzamide
IUPAC: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-[[2-(dimethylamino)acetyl]amino]benzamide

Names & synonyms

NCI60_018837Neuro_000372SCHEMBL9138217CHEMBL1907199DTXSID801108392150096-70-1N-[[[4-[(5-Bromo-2-pyrimidinyl)oxy]-3-methylphenyl]amino]carbonyl]-2-[[2-(dimethylamino)acetyl]amino]benzamide

Database identifiers

CAS: 150096-70-1
PubChem CID: 375124
DTXSID: DTXSID801108392
ChEMBL: CHEMBL1907199
Nikkaji: J1.076.638I

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 126 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 703

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