N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H13ClN2O — CID 66394332

IUPACN-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNc1ccc(Cl)cc1NC(=O)C1Cc2ccccc21
InChIInChI=1S/C15H13ClN2O/c16-10-5-6-13(17)14(8-10)18-15(19)12-7-9-3-1-2-4-11(9)12/h1-6,8,12H,7,17H2,(H,18,19)
InChIKeyKRKKUUKCJIOLEI-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.20
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66394332) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66394332
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNc1ccc(Cl)cc1NC(=O)C1Cc2ccccc21
InChIInChI=1S/C15H13ClN2O/c16-10-5-6-13(17)14(8-10)18-15(19)12-7-9-3-1-2-4-11(9)12/h1-6,8,12H,7,17H2,(H,18,19)
InChIKeyKRKKUUKCJIOLEI-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)-3-chlorobenzoic acid
CID 66395315
N-(3-amino-2,6-dimethylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394720
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394969
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
CID 66396102
N-(5-bromo-2-methylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64867228
N-(2-carbamothioyl-3-fluorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394761
N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 81267883
N-(4-chloro-2-iodophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 107625573

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66394332) is N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is Nc1ccc(Cl)cc1NC(=O)C1Cc2ccccc21.
What is the InChIKey of N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is KRKKUUKCJIOLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-10-5-6-13(17)14(8-10)18-15(19)12-7-9-3-1-2-4-11(9)12/h1-6,8,12H,7,17H2,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 272.74 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66394332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).