N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide

C28H27FN2O2 — CID 54161620

IUPACN-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@H](c1ccccc1)N(C(=O)c1ccccc1)C(CC1=Cc2cc(F)ccc2CC1)C(N)=O
InChIInChI=1S/C28H27FN2O2/c1-19(21-8-4-2-5-9-21)31(28(33)23-10-6-3-7-11-23)26(27(30)32)17-20-12-13-22-14-15-25(29)18-24(22)16-20/h2-11,14-16,18-19,26H,12-13,17H2,1H3,(H2,30,32)/t19-,26?/m1/s1
InChIKeyOOURNFXZLOZICY-ICCFGIFFSA-N
MW442.53 g/mol
LogP5.30
Rot. Bonds7

About N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide

N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 54161620) has the molecular formula C28H27FN2O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID54161620
Molecular FormulaC28H27FN2O2
Molecular Weight442.53 g/mol
Exact Mass442.21
IUPAC NameN-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@H](c1ccccc1)N(C(=O)c1ccccc1)C(CC1=Cc2cc(F)ccc2CC1)C(N)=O
InChIInChI=1S/C28H27FN2O2/c1-19(21-8-4-2-5-9-21)31(28(33)23-10-6-3-7-11-23)26(27(30)32)17-20-12-13-22-14-15-25(29)18-24(22)16-20/h2-11,14-16,18-19,26H,12-13,17H2,1H3,(H2,30,32)/t19-,26?/m1/s1
InChIKeyOOURNFXZLOZICY-ICCFGIFFSA-N
XLogP5.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide (CID 54161620) is N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide is C[C@H](c1ccccc1)N(C(=O)c1ccccc1)C(CC1=Cc2cc(F)ccc2CC1)C(N)=O.
What is the InChIKey of N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is OOURNFXZLOZICY-ICCFGIFFSA-N. The full InChI is InChI=1S/C28H27FN2O2/c1-19(21-8-4-2-5-9-21)31(28(33)23-10-6-3-7-11-23)26(27(30)32)17-20-12-13-22-14-15-25(29)18-24(22)16-20/h2-11,14-16,18-19,26H,12-13,17H2,1H3,(H2,30,32)/t19-,26?/m1/s1.
What are the key properties of N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide?
N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 442.53 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(7-fluoro-3,4-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 54161620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).