4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C21H23ClN2O2 — CID 51927346

IUPAC4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C21H23ClN2O2/c1-13(2)19(24-20(25)15-7-10-16(22)11-8-15)21(26)23-18-12-9-14-5-3-4-6-17(14)18/h3-8,10-11,13,18-19H,9,12H2,1-2H3,(H,23,26)(H,24,25)/t18-,19-/m0/s1
InChIKeyLVGIWUXYBVVNQP-OALUTQOASA-N
MW370.88 g/mol
LogP3.90
Rot. Bonds5

About 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 51927346) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID51927346
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C21H23ClN2O2/c1-13(2)19(24-20(25)15-7-10-16(22)11-8-15)21(26)23-18-12-9-14-5-3-4-6-17(14)18/h3-8,10-11,13,18-19H,9,12H2,1-2H3,(H,23,26)(H,24,25)/t18-,19-/m0/s1
InChIKeyLVGIWUXYBVVNQP-OALUTQOASA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 51927346) is 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is LVGIWUXYBVVNQP-OALUTQOASA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-13(2)19(24-20(25)15-7-10-16(22)11-8-15)21(26)23-18-12-9-14-5-3-4-6-17(14)18/h3-8,10-11,13,18-19H,9,12H2,1-2H3,(H,23,26)(H,24,25)/t18-,19-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51927346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).