2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide

C36H29F2NO5 — CID 102373406

IUPAC2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(O)C(F)(F)C(=O)N(c3ccc4cc(OC)ccc4c3)c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C36H29F2NO5/c1-42-31-13-8-22-16-28(5-4-25(22)19-31)34(40)36(37,38)35(41)39(29-11-6-26-20-32(43-2)14-9-23(26)17-29)30-12-7-27-21-33(44-3)15-10-24(27)18-30/h4-21,34,40H,1-3H3
InChIKeyOHPYZSIBNZCBBX-UHFFFAOYSA-N
MW593.63 g/mol
LogP8.21
Rot. Bonds8

About 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide

2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 102373406) has the molecular formula C36H29F2NO5 and a molecular weight of 593.63 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide
PubChem CID102373406
Molecular FormulaC36H29F2NO5
Molecular Weight593.63 g/mol
Exact Mass593.20
IUPAC Name2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(O)C(F)(F)C(=O)N(c3ccc4cc(OC)ccc4c3)c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C36H29F2NO5/c1-42-31-13-8-22-16-28(5-4-25(22)19-31)34(40)36(37,38)35(41)39(29-11-6-26-20-32(43-2)14-9-23(26)17-29)30-12-7-27-21-33(44-3)15-10-24(27)18-30/h4-21,34,40H,1-3H3
InChIKeyOHPYZSIBNZCBBX-UHFFFAOYSA-N
XLogP8.21
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.63
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 23091390
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
S-tert-butyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)propanethioate
CID 10780819
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride
CID 114827454
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal
CID 10659512
hydroxy-(6-methoxynaphthalen-2-yl)methanesulfonic acid
CID 4161166
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
N-hydroxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]acetamide
CID 57042086
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide (CID 102373406) is 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc(C(O)C(F)(F)C(=O)N(c3ccc4cc(OC)ccc4c3)c3ccc4cc(OC)ccc4c3)ccc2c1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is OHPYZSIBNZCBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29F2NO5/c1-42-31-13-8-22-16-28(5-4-25(22)19-31)34(40)36(37,38)35(41)39(29-11-6-26-20-32(43-2)14-9-23(26)17-29)30-12-7-27-21-33(44-3)15-10-24(27)18-30/h4-21,34,40H,1-3H3.
What are the key properties of 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide?
2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 593.63 g/mol, XLogP of 8.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 102373406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).