(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide

C25H24FNO3 — CID 7795231

IUPAC(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C25H24FNO3/c1-15-13-16(2)23(17(3)14-15)27-25(29)18(4)30-22-11-7-20(8-12-22)24(28)19-5-9-21(26)10-6-19/h5-14,18H,1-4H3,(H,27,29)/t18-/m0/s1
InChIKeyFDZAYADNBHMWCB-SFHVURJKSA-N
MW405.47 g/mol
LogP5.39
Rot. Bonds6

About (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 7795231) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID7795231
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C25H24FNO3/c1-15-13-16(2)23(17(3)14-15)27-25(29)18(4)30-22-11-7-20(8-12-22)24(28)19-5-9-21(26)10-6-19/h5-14,18H,1-4H3,(H,27,29)/t18-/m0/s1
InChIKeyFDZAYADNBHMWCB-SFHVURJKSA-N
XLogP5.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18208718
(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8760048
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide (CID 7795231) is (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c(C)c1.
What is the InChIKey of (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is FDZAYADNBHMWCB-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24FNO3/c1-15-13-16(2)23(17(3)14-15)27-25(29)18(4)30-22-11-7-20(8-12-22)24(28)19-5-9-21(26)10-6-19/h5-14,18H,1-4H3,(H,27,29)/t18-/m0/s1.
What are the key properties of (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 405.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 7795231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).