(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide

C21H18FNO4 — CID 7382374

IUPAC(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C21H18FNO4/c1-14(21(25)23-13-19-3-2-12-26-19)27-18-10-6-16(7-11-18)20(24)15-4-8-17(22)9-5-15/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyNRDUGDONPAVFRI-AWEZNQCLSA-N
MW367.38 g/mol
LogP3.73
Rot. Bonds7

About (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide

(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide (PubChem CID 7382374) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
PubChem CID7382374
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC Name(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C21H18FNO4/c1-14(21(25)23-13-19-3-2-12-26-19)27-18-10-6-16(7-11-18)20(24)15-4-8-17(22)9-5-15/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyNRDUGDONPAVFRI-AWEZNQCLSA-N
XLogP3.73
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8769944
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503670
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 95593436
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
2-[(6-formyl-3-pyridinyl)oxy]-N-(furan-2-ylmethyl)propanamide
CID 79794769
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide
CID 112773422
2-[2-(4-fluorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2935296
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 41091288
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide (CID 7382374) is (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide is C[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is NRDUGDONPAVFRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18FNO4/c1-14(21(25)23-13-19-3-2-12-26-19)27-18-10-6-16(7-11-18)20(24)15-4-8-17(22)9-5-15/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide?
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 367.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 7382374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).