N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C18H18BrNO — CID 60794002

IUPACN-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C18H18BrNO/c1-12-9-10-14(19)11-17(12)20-18(21)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16H,4,6,8H2,1H3,(H,20,21)
InChIKeyKROADTJONXOUJO-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.82
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 60794002) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID60794002
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C18H18BrNO/c1-12-9-10-14(19)11-17(12)20-18(21)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16H,4,6,8H2,1H3,(H,20,21)
InChIKeyKROADTJONXOUJO-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-(5-bromo-2-methylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64867228
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266
(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51933448
(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51960127
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 60794002) is N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1ccc(Br)cc1NC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is KROADTJONXOUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-12-9-10-14(19)11-17(12)20-18(21)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16H,4,6,8H2,1H3,(H,20,21).
What are the key properties of N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 60794002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).