2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C21H22F2N2O3 — CID 10293617

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2CCC1O
InChIInChI=1S/C21H22F2N2O3/c1-12(24-19(27)10-13-8-15(22)11-16(23)9-13)21(28)25-20-17-5-3-2-4-14(17)6-7-18(20)26/h2-5,8-9,11-12,18,20,26H,6-7,10H2,1H3,(H,24,27)(H,25,28)
InChIKeyFQNSWOTTZSWSDE-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.18
Rot. Bonds5

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 10293617) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID10293617
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2CCC1O
InChIInChI=1S/C21H22F2N2O3/c1-12(24-19(27)10-13-8-15(22)11-16(23)9-13)21(28)25-20-17-5-3-2-4-14(17)6-7-18(20)26/h2-5,8-9,11-12,18,20,26H,6-7,10H2,1H3,(H,24,27)(H,25,28)
InChIKeyFQNSWOTTZSWSDE-UHFFFAOYSA-N
XLogP2.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)propanamide
CID 10293508
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(5S,6S)-1-methyl-7-oxo-5-phenyl-5,6-dihydro-2H-azepin-6-yl]propanamide
CID 69211158
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,1-dimethyl-3-oxo-4H-isochromen-4-yl)propanamide
CID 10295374
methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 10452973
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-oxo-6,11-dihydrobenzo[b][1]benzazepin-6-yl)propanamide
CID 10138711
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(3R,6S,7R)-3,4-dimethyl-5-oxo-7-phenyl-1,4-oxazepan-6-yl]propanamide
CID 71160147
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(3S,6R)-1-methyl-2-oxo-6-phenylazepan-3-yl]propanamide
CID 10026423
(2S)-N-[(4S)-3-benzyl-2-oxopiperidin-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 70089656
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2S,5R,6S)-1-methyl-7-oxo-2,5-diphenyl-5,6-dihydro-2H-azepin-6-yl]propanamide
CID 69212964
N-(1-benzyl-2-oxoazepan-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 10225419
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(4-methyl-5-oxo-6,11-dihydrobenzo[b][1]benzazepin-6-yl)propanamide
CID 10298425
2-methylpropyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 142643268

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 10293617) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2CCC1O.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is FQNSWOTTZSWSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-12(24-19(27)10-13-8-15(22)11-16(23)9-13)21(28)25-20-17-5-3-2-4-14(17)6-7-18(20)26/h2-5,8-9,11-12,18,20,26H,6-7,10H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 388.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 10293617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).