4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide

C16H14ClFN2O3 — CID 7751173

IUPAC4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-9(23-12-6-7-14(18)13(17)8-12)16(22)20-11-4-2-10(3-5-11)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1
InChIKeyKDUXXJRNMRMZML-VIFPVBQESA-N
MW336.75 g/mol
LogP2.98
Rot. Bonds5

About 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide

4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide (PubChem CID 7751173) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
PubChem CID7751173
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-9(23-12-6-7-14(18)13(17)8-12)16(22)20-11-4-2-10(3-5-11)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1
InChIKeyKDUXXJRNMRMZML-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

4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8579900
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953359
2-(4-chloro-3-fluorophenoxy)-N-phenylpropanamide
CID 82705817
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide (CID 7751173) is 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide is C[C@H](Oc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide?
The InChIKey is KDUXXJRNMRMZML-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-9(23-12-6-7-14(18)13(17)8-12)16(22)20-11-4-2-10(3-5-11)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1.
What are the key properties of 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide?
4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide 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 4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 7751173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).