2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide

C19H19FN2O2 — CID 9216438

IUPAC2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H19FN2O2/c20-16-10-4-3-9-15(16)19(24)21-12-18(23)22-17-11-5-7-13-6-1-2-8-14(13)17/h1-4,6,8-10,17H,5,7,11-12H2,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyYOXRTEWHBKSXRA-KRWDZBQOSA-N
MW326.37 g/mol
LogP2.75
Rot. Bonds4

About 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide

2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide (PubChem CID 9216438) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
PubChem CID9216438
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H19FN2O2/c20-16-10-4-3-9-15(16)19(24)21-12-18(23)22-17-11-5-7-13-6-1-2-8-14(13)17/h1-4,6,8-10,17H,5,7,11-12H2,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyYOXRTEWHBKSXRA-KRWDZBQOSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 46520269
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]acetamide
CID 166276896
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2,6-difluorobenzoate
CID 6599915
N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,2-diphenylacetamide
CID 143477934
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 41135260
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 51273774
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide (CID 9216438) is 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1F)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide?
The InChIKey is YOXRTEWHBKSXRA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-10-4-3-9-15(16)19(24)21-12-18(23)22-17-11-5-7-13-6-1-2-8-14(13)17/h1-4,6,8-10,17H,5,7,11-12H2,(H,21,24)(H,22,23)/t17-/m0/s1.
What are the key properties of 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide?
2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide has a molecular weight of 326.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide is sourced from PubChem (CID 9216438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).