4-(4-tert-Butylbenzoylamino)-N-(5-chloropyridin-2-yl)isophthalamic acid

HCID 21906532
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Basic information

Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIKey
WYZWHHUUJMEFNY-UHFFFAOYSA-N
Molecular formula
C24H22ClN3O4
Average molar mass
451.9 g/mol

Names & identifiers

Preferred name
4-(4-tert-Butylbenzoylamino)-N-(5-chloropyridin-2-yl)isophthalamic acid
IUPAC
4-[(4-tert-butylbenzoyl)amino]-3-[(5-chloro-2-pyridinyl)carbamoyl]benzoic acid

Names & synonyms

SCHEMBL6109799WYZWHHUUJMEFNY-UHFFFAOYSA-N4-(4-tert-Butylbenzoylamino)-N-(5-chloropyridin-2-yl)isophthalamic acid

Database identifiers

PubChem CID
21906532

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
108 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
32

Related reactions

3 records
New reaction record

Compound notes

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