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Phenyl N-(4-Chloro-3-(pyrid-3-yl)phenyl)carbamate

HCID 18005115
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(Nc1ccc(Cl)c(-c2cccnc2)c1)Oc1ccccc1
InChIKey
RFEBPXVCSFLNGT-UHFFFAOYSA-N
Molecular formula
C18H13ClN2O2
Average molar mass
324.8 g/mol

Names & identifiers

Preferred name
Phenyl N-(4-Chloro-3-(pyrid-3-yl)phenyl)carbamate
IUPAC
phenyl N-(4-chloro-3-pyridin-3-ylphenyl)carbamate

Names & synonyms

SCHEMBL7084050RFEBPXVCSFLNGT-UHFFFAOYSA-NPhenyl N-(4-Chloro-3-(pyrid-3-yl)phenyl)carbamatePhenyl N-(4Chloro-3-(pyrid-3-yl)phenyl)carbamate

Database identifiers

PubChem CID
18005115

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
51.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
387

Related reactions

7 records
New reaction record
HRID 163859 reaction equation
HRID 163859As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 822837 reaction equation
HRID 822837As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 989196 reaction equation
HRID 989196As productuspto-grants-2003_10
HRID 989201 reaction equation
HRID 989201As reactantuspto-grants-2003_10
HRID 1603785 reaction equation
HRID 1603785As productuspto-grants-1999_11
HRID 1603789 reaction equation
HRID 1603789As reactantuspto-grants-1999_11
HRID 1977758 reaction equation
HRID 1977758As productuspto-grants-2001_05

Compound notes

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