5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide

C19H21FN2O — CID 120634471

IUPAC5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC1c2cccc(F)c2CCC1C
InChIInChI=1S/C19H21FN2O/c1-11-6-8-13(21)10-16(11)19(23)22-18-12(2)7-9-14-15(18)4-3-5-17(14)20/h3-6,8,10,12,18H,7,9,21H2,1-2H3,(H,22,23)
InChIKeyVLDKMNNWYUZOGL-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.77
Rot. Bonds2

About 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide

5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide (PubChem CID 120634471) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide
PubChem CID120634471
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC1c2cccc(F)c2CCC1C
InChIInChI=1S/C19H21FN2O/c1-11-6-8-13(21)10-16(11)19(23)22-18-12(2)7-9-14-15(18)4-3-5-17(14)20/h3-6,8,10,12,18H,7,9,21H2,1-2H3,(H,22,23)
InChIKeyVLDKMNNWYUZOGL-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
CID 111861119
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
3-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-1-(2-methylsulfonylethyl)urea
CID 96562980
1-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[(3R)-3-hydroxythiolan-3-yl]methyl]urea
CID 97092663
4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoylamino]butanoic acid
CID 122005494
(2S)-N-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methyl-3-methylsulfonylpropanamide
CID 129422325
2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 119329773
2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95974141
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 96529997
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 124729881
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
CID 71917527

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide (CID 120634471) is 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC1c2cccc(F)c2CCC1C.
What is the InChIKey of 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide?
The InChIKey is VLDKMNNWYUZOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-11-6-8-13(21)10-16(11)19(23)22-18-12(2)7-9-14-15(18)4-3-5-17(14)20/h3-6,8,10,12,18H,7,9,21H2,1-2H3,(H,22,23).
What are the key properties of 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide?
5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide is sourced from PubChem (CID 120634471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).