N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

C18H20N2O — CID 43548027

IUPACN-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C18H20N2O/c1-11-6-9-16(19)17(12(11)2)20-18(21)15-8-7-13-4-3-5-14(13)10-15/h6-10H,3-5,19H2,1-2H3,(H,20,21)
InChIKeyLVEGRCFFZBBJSN-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.63
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 43548027) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID43548027
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C18H20N2O/c1-11-6-9-16(19)17(12(11)2)20-18(21)15-8-7-13-4-3-5-14(13)10-15/h6-10H,3-5,19H2,1-2H3,(H,20,21)
InChIKeyLVEGRCFFZBBJSN-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.63
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-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 81314550
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(6-amino-2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43548108
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126
N-(6-amino-2,3-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218671
N-(6-amino-2,3-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 43548085
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
CID 43548048
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 43548027) is N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is Cc1ccc(N)c(NC(=O)c2ccc3c(c2)CCC3)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is LVEGRCFFZBBJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-6-9-16(19)17(12(11)2)20-18(21)15-8-7-13-4-3-5-14(13)10-15/h6-10H,3-5,19H2,1-2H3,(H,20,21).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 43548027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).