4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide

C22H20N2O3 — CID 1177972

IUPAC4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C22H20N2O3/c1-15(22(26)24-19-11-7-18(8-12-19)21(23)25)27-20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-15H,1H3,(H2,23,25)(H,24,26)/t15-/m0/s1
InChIKeyPSCPOWMIJRURDD-HNNXBMFYSA-N
MW360.41 g/mol
LogP3.86
Rot. Bonds6

About 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide

4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide (PubChem CID 1177972) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
PubChem CID1177972
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C22H20N2O3/c1-15(22(26)24-19-11-7-18(8-12-19)21(23)25)27-20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-15H,1H3,(H2,23,25)(H,24,26)/t15-/m0/s1
InChIKeyPSCPOWMIJRURDD-HNNXBMFYSA-N
XLogP3.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
2-(4-carbamothioylphenoxy)-N-phenylpropanamide
CID 43116878
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 94093464
2-(4-aminophenoxy)-N-phenylpropanamide
CID 43115954
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide (CID 1177972) is 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide is C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide?
The InChIKey is PSCPOWMIJRURDD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-15(22(26)24-19-11-7-18(8-12-19)21(23)25)27-20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-15H,1H3,(H2,23,25)(H,24,26)/t15-/m0/s1.
What are the key properties of 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide?
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 1177972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).