2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide

C19H15F2NO2 — CID 10314342

IUPAC2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccc2ccccc2c1)c1ccc(F)cc1F
InChIInChI=1S/C19H15F2NO2/c20-15-7-8-16(17(21)10-15)19(24)22-18(11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1
InChIKeyTVKDDVJVYCFSPA-SFHVURJKSA-N
MW327.33 g/mol
LogP3.58
Rot. Bonds4

About 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide

2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide (PubChem CID 10314342) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
PubChem CID10314342
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccc2ccccc2c1)c1ccc(F)cc1F
InChIInChI=1S/C19H15F2NO2/c20-15-7-8-16(17(21)10-15)19(24)22-18(11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1
InChIKeyTVKDDVJVYCFSPA-SFHVURJKSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylphenylalanine derivative, 22a
CID 11749915
Naphthalene carboxamide, 18a
CID 11773558
3-Fluorophenylalanine derivative, 21a
CID 11441043
2,3-Difluorophenylalanine derivative, 23a
CID 44263414
(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid
CID 45100499
N-[2-[[(1S,2S)-3-[(2,4-dimethylphenyl)methylamino]-1-hydroxy-1-phenylpropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10186010
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide
CID 10649344
(R)-2-(2-naphthamido)-5-(3-fluorophenyl)pent-4-enoic acid
CID 46884263
trans-(1S,2S)-5,5-difluoro-N-[(1R)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenylcyclohexane-1-carboxamide
CID 145982955
(R)-2-(2-naphthamido)-3-m-tolylpropanoic acid
CID 46884012
(R)-3-(2-naphthamido)-4-m-tolylbutanoic acid
CID 46884013
4-[2-(Hydroxymethyl)naphthalen-1-Yl]-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 60196237

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide (CID 10314342) is 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide is O=C(N[C@@H](CO)c1ccc2ccccc2c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide?
The InChIKey is TVKDDVJVYCFSPA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15F2NO2/c20-15-7-8-16(17(21)10-15)19(24)22-18(11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1.
What are the key properties of 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide?
2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide is sourced from PubChem (CID 10314342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).