3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide

C17H16N2O2 — CID 51729442

IUPAC3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C17H16N2O2/c1-11-9-12-5-2-3-8-15(12)19(11)17(21)14-7-4-6-13(10-14)16(18)20/h2-8,10-11H,9H2,1H3,(H2,18,20)/t11-/m0/s1
InChIKeyJLTNFTXZXSWGHN-NSHDSACASA-N
MW280.33 g/mol
LogP2.38
Rot. Bonds2

About 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide

3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide (PubChem CID 51729442) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
PubChem CID51729442
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C17H16N2O2/c1-11-9-12-5-2-3-8-15(12)19(11)17(21)14-7-4-6-13(10-14)16(18)20/h2-8,10-11H,9H2,1H3,(H2,18,20)/t11-/m0/s1
InChIKeyJLTNFTXZXSWGHN-NSHDSACASA-N
XLogP2.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 25499914
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109051597
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
N-(2-cyanophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057792
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide?
The IUPAC name of 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide (CID 51729442) is 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide.
What is the SMILES notation for 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide?
The canonical SMILES for 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide is C[C@H]1Cc2ccccc2N1C(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide?
The InChIKey is JLTNFTXZXSWGHN-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-9-12-5-2-3-8-15(12)19(11)17(21)14-7-4-6-13(10-14)16(18)20/h2-8,10-11H,9H2,1H3,(H2,18,20)/t11-/m0/s1.
What are the key properties of 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide?
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide is sourced from PubChem (CID 51729442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).