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

C17H15BrClNO — CID 107620504

IUPACN-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H15BrClNO/c18-15-8-7-14(10-16(15)19)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13H,5-6,9H2,(H,20,21)
InChIKeyHHDWYLGXSHOGOB-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.85
Rot. Bonds2

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

N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107620504) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107620504
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC NameN-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H15BrClNO/c18-15-8-7-14(10-16(15)19)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13H,5-6,9H2,(H,20,21)
InChIKeyHHDWYLGXSHOGOB-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-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126932
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
CID 103824576
N-(4-bromo-3-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 103824527
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106704006
N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126097
(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529257
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107620504) is N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCc2ccccc2C1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is HHDWYLGXSHOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c18-15-8-7-14(10-16(15)19)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13H,5-6,9H2,(H,20,21).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(4-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-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107620504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).