2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide

C25H23ClN2O3 — CID 118935554

IUPAC2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
SMILESCOc1cc2c(cc1Cl)CC[C@H]2N(Cc1ccccc1C(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C25H23ClN2O3/c1-31-23-14-20-17(13-21(23)26)11-12-22(20)28(25(30)16-7-3-2-4-8-16)15-18-9-5-6-10-19(18)24(27)29/h2-10,13-14,22H,11-12,15H2,1H3,(H2,27,29)/t22-/m1/s1
InChIKeyKJGPWRLEYRPCTO-JOCHJYFZSA-N
MW434.92 g/mol
LogP4.78
Rot. Bonds6

About 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide

2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide (PubChem CID 118935554) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
PubChem CID118935554
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
SMILESCOc1cc2c(cc1Cl)CC[C@H]2N(Cc1ccccc1C(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C25H23ClN2O3/c1-31-23-14-20-17(13-21(23)26)11-12-22(20)28(25(30)16-7-3-2-4-8-16)15-18-9-5-6-10-19(18)24(27)29/h2-10,13-14,22H,11-12,15H2,1H3,(H2,27,29)/t22-/m1/s1
InChIKeyKJGPWRLEYRPCTO-JOCHJYFZSA-N
XLogP4.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?
The IUPAC name of 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide (CID 118935554) is 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?
The canonical SMILES for 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide is COc1cc2c(cc1Cl)CC[C@H]2N(Cc1ccccc1C(N)=O)C(=O)c1ccccc1.
What is the InChIKey of 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?
The InChIKey is KJGPWRLEYRPCTO-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-31-23-14-20-17(13-21(23)26)11-12-22(20)28(25(30)16-7-3-2-4-8-16)15-18-9-5-6-10-19(18)24(27)29/h2-10,13-14,22H,11-12,15H2,1H3,(H2,27,29)/t22-/m1/s1.
What are the key properties of 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?
2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide has a molecular weight of 434.92 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzoyl-[(1R)-5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide is sourced from PubChem (CID 118935554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).