N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C17H15BrClNO — CID 107126797

IUPACN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)C1CCc2ccccc2C1
InChIInChI=1S/C17H15BrClNO/c18-16-14(19)6-3-7-15(16)20-17(21)13-9-8-11-4-1-2-5-12(11)10-13/h1-7,13H,8-10H2,(H,20,21)
InChIKeyMHAPOKDKRSCUEG-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.85
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126797) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126797
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC NameN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)C1CCc2ccccc2C1
InChIInChI=1S/C17H15BrClNO/c18-16-14(19)6-3-7-15(16)20-17(21)13-9-8-11-4-1-2-5-12(11)10-13/h1-7,13H,8-10H2,(H,20,21)
InChIKeyMHAPOKDKRSCUEG-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126097
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103479491
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 122514317
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126932
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525347
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126797) is N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(Nc1cccc(Cl)c1Br)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is MHAPOKDKRSCUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c18-16-14(19)6-3-7-15(16)20-17(21)13-9-8-11-4-1-2-5-12(11)10-13/h1-7,13H,8-10H2,(H,20,21).
What are the key properties of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 364.67 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).