N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide

C23H21F2NO3 — CID 9012238

IUPACN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C23H21F2NO3/c1-16-7-11-19(12-8-16)28-15-21(27)26-22(17-5-3-2-4-6-17)18-9-13-20(14-10-18)29-23(24)25/h2-14,22-23H,15H2,1H3,(H,26,27)/t22-/m1/s1
InChIKeyHLLFYLDDVOXXRE-JOCHJYFZSA-N
MW397.42 g/mol
LogP4.88
Rot. Bonds8

About N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide

N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 9012238) has the molecular formula C23H21F2NO3 and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
PubChem CID9012238
Molecular FormulaC23H21F2NO3
Molecular Weight397.42 g/mol
Exact Mass397.15
IUPAC NameN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C23H21F2NO3/c1-16-7-11-19(12-8-16)28-15-21(27)26-22(17-5-3-2-4-6-17)18-9-13-20(14-10-18)29-23(24)25/h2-14,22-23H,15H2,1H3,(H,26,27)/t22-/m1/s1
InChIKeyHLLFYLDDVOXXRE-JOCHJYFZSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
2-(4-acetamidophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 7379493
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] propanoate
CID 9015107
N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 66612389
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 9230220
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43926563
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914596
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
ethyl 2-[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]sulfanylacetate
CID 8594821

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide (CID 9012238) is N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is HLLFYLDDVOXXRE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21F2NO3/c1-16-7-11-19(12-8-16)28-15-21(27)26-22(17-5-3-2-4-6-17)18-9-13-20(14-10-18)29-23(24)25/h2-14,22-23H,15H2,1H3,(H,26,27)/t22-/m1/s1.
What are the key properties of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide?
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 397.42 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 9012238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).