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

C17H18N2O — CID 18072524

IUPACN-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18N2O/c1-11-5-8-15(18)10-16(11)19-17(20)14-7-6-12-3-2-4-13(12)9-14/h5-10H,2-4,18H2,1H3,(H,19,20)
InChIKeyHOXSPBCPCLJXEF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.32
Rot. Bonds2

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

N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 18072524) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID18072524
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18N2O/c1-11-5-8-15(18)10-16(11)19-17(20)14-7-6-12-3-2-4-13(12)9-14/h5-10H,2-4,18H2,1H3,(H,19,20)
InChIKeyHOXSPBCPCLJXEF-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.32
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-(5-amino-2-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18071479
N-(5-amino-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 120568967
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43548027
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 18072524) is N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HOXSPBCPCLJXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-5-8-15(18)10-16(11)19-17(20)14-7-6-12-3-2-4-13(12)9-14/h5-10H,2-4,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 18072524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).