4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

C17H18N2O — CID 167568086

IUPAC4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H18N2O/c1-11-2-8-15-13(10-11)5-9-16(15)19-17(20)12-3-6-14(18)7-4-12/h2-4,6-8,10,16H,5,9,18H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyHUELFZTWRGNYBX-MRXNPFEDSA-N
MW266.34 g/mol
LogP2.99
Rot. Bonds2

About 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 167568086) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID167568086
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H18N2O/c1-11-2-8-15-13(10-11)5-9-16(15)19-17(20)12-3-6-14(18)7-4-12/h2-4,6-8,10,16H,5,9,18H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyHUELFZTWRGNYBX-MRXNPFEDSA-N
XLogP2.99
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 ≤ 52.99
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-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
CID 79721854
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-5-methylbenzamide
CID 81316696
N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 167682226
4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167535377
4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167659779
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
CID 103209666

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (CID 167568086) is 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is HUELFZTWRGNYBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-2-8-15-13(10-11)5-9-16(15)19-17(20)12-3-6-14(18)7-4-12/h2-4,6-8,10,16H,5,9,18H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 167568086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).