(2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide

C19H15F2NO3 — CID 97238178

IUPAC(2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H15F2NO3/c1-11(25-14-7-8-16(20)17(21)10-14)19(24)22-18-4-2-3-12-5-6-13(23)9-15(12)18/h2-11,23H,1H3,(H,22,24)/t11-/m0/s1
InChIKeyIDTBXDSXXPOXAA-NSHDSACASA-N
MW343.33 g/mol
LogP4.23
Rot. Bonds4

About (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide

(2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide (PubChem CID 97238178) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide
PubChem CID97238178
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name(2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H15F2NO3/c1-11(25-14-7-8-16(20)17(21)10-14)19(24)22-18-4-2-3-12-5-6-13(23)9-15(12)18/h2-11,23H,1H3,(H,22,24)/t11-/m0/s1
InChIKeyIDTBXDSXXPOXAA-NSHDSACASA-N
XLogP4.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 43554689
2-amino-N-(7-hydroxynaphthalen-1-yl)propanamide
CID 18475864
(2S)-N-(2,6-difluorophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561465
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
2-(4-ethylphenoxy)-N-naphthalen-1-ylpropanamide
CID 4953259
N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
CID 55424008
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2S)-N-(2,6-difluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949411

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide?
The IUPAC name of (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide (CID 97238178) is (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide?
The canonical SMILES for (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide is C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc2ccc(O)cc12.
What is the InChIKey of (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide?
The InChIKey is IDTBXDSXXPOXAA-NSHDSACASA-N. The full InChI is InChI=1S/C19H15F2NO3/c1-11(25-14-7-8-16(20)17(21)10-14)19(24)22-18-4-2-3-12-5-6-13(23)9-15(12)18/h2-11,23H,1H3,(H,22,24)/t11-/m0/s1.
What are the key properties of (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide?
(2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide has a molecular weight of 343.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide is sourced from PubChem (CID 97238178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).