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2,6-dichloro-N-(2-(3-isopropylureido)pyridin-4-yl)benzamide

HCID 59618528
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Basic information

Standard SMILES
CC(C)NC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIKey
GPGXFINWSBWPDP-UHFFFAOYSA-N
Molecular formula
C16H16Cl2N4O2
Average molar mass
367.2 g/mol
Monoisotopic mass
366.0650312

Names & identifiers

Preferred name
2,6-dichloro-N-(2-(3-isopropylureido)pyridin-4-yl)benzamide
IUPAC
2,6-dichloro-N-[2-(propan-2-ylcarbamoylamino)-4-pyridinyl]benzamide

Names & synonyms

SCHEMBL1707687GPGXFINWSBWPDP-UHFFFAOYSA-N2,6-dichloro-N-(2-(3-isopropylureido)pyridin-4-yl)benzamide

Database identifiers

PubChem CID
59618528

Properties

Computed structural propertiesFilling in

XLogP
3.1
Topological polar surface area
83.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
440

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Related reactions

2 records
New reaction record
HRID 155491 reaction equation
HRID 155491As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 449877 reaction equation
HRID 449877As productuspto-grants-2013_07

Compound notes

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