3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C23H24FNO2 — CID 167420837

IUPAC3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESC[C@H]1CC(=O)c2c(CCC(=O)NC3CCCc4ccccc43)ccc(F)c21
InChIInChI=1S/C23H24FNO2/c1-14-13-20(26)23-16(9-11-18(24)22(14)23)10-12-21(27)25-19-8-4-6-15-5-2-3-7-17(15)19/h2-3,5,7,9,11,14,19H,4,6,8,10,12-13H2,1H3,(H,25,27)/t14-,19?/m0/s1
InChIKeyAKLPORFTRRKKIE-KTQQKIMGSA-N
MW365.45 g/mol
LogP4.64
Rot. Bonds4

About 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 167420837) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID167420837
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Name3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESC[C@H]1CC(=O)c2c(CCC(=O)NC3CCCc4ccccc43)ccc(F)c21
InChIInChI=1S/C23H24FNO2/c1-14-13-20(26)23-16(9-11-18(24)22(14)23)10-12-21(27)25-19-8-4-6-15-5-2-3-7-17(15)19/h2-3,5,7,9,11,14,19H,4,6,8,10,12-13H2,1H3,(H,25,27)/t14-,19?/m0/s1
InChIKeyAKLPORFTRRKKIE-KTQQKIMGSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 167420894
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
3-(3,4-difluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 46686154
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7919825
2-[3-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]benzoic acid
CID 166201852
3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28578102
2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55855389

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 167420837) is 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is C[C@H]1CC(=O)c2c(CCC(=O)NC3CCCc4ccccc43)ccc(F)c21.
What is the InChIKey of 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is AKLPORFTRRKKIE-KTQQKIMGSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-14-13-20(26)23-16(9-11-18(24)22(14)23)10-12-21(27)25-19-8-4-6-15-5-2-3-7-17(15)19/h2-3,5,7,9,11,14,19H,4,6,8,10,12-13H2,1H3,(H,25,27)/t14-,19?/m0/s1.
What are the key properties of 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 365.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 167420837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).