5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide

C16H14ClFN2O3 — CID 9362462

IUPAC5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-9(16(22)20-12-5-3-11(18)4-6-12)23-14-7-2-10(17)8-13(14)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1
InChIKeyNFDPCVXMBZXKNG-VIFPVBQESA-N
MW336.75 g/mol
LogP2.98
Rot. Bonds5

About 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide

5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 9362462) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID9362462
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-9(16(22)20-12-5-3-11(18)4-6-12)23-14-7-2-10(17)8-13(14)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1
InChIKeyNFDPCVXMBZXKNG-VIFPVBQESA-N
XLogP2.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 7185247
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620465
5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide
CID 51263861
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
5-chloro-2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]oxybenzamide
CID 38262201
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7862951
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
2-(2,4-dichlorophenoxy)-N'-(4-fluorophenyl)propanehydrazide
CID 118727201
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide (CID 9362462) is 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide is C[C@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is NFDPCVXMBZXKNG-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-9(16(22)20-12-5-3-11(18)4-6-12)23-14-7-2-10(17)8-13(14)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1.
What are the key properties of 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 336.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 9362462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).