2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide

C16H14Cl2N2O3 — CID 1335501

IUPAC2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H14Cl2N2O3/c1-9(23-14-7-6-10(17)8-12(14)18)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1
InChIKeySCJZTPPERTZDOG-VIFPVBQESA-N
MW353.21 g/mol
LogP3.50
Rot. Bonds5

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

2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide (PubChem CID 1335501) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
PubChem CID1335501
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H14Cl2N2O3/c1-9(23-14-7-6-10(17)8-12(14)18)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1
InChIKeySCJZTPPERTZDOG-VIFPVBQESA-N
XLogP3.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
CID 40771324
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
CID 42561609
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
5-chloro-2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]oxybenzamide
CID 38262201
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
CID 2943352
2-(2,4-dichlorophenoxy)-N-(3-fluoro-2-methylphenyl)propanamide
CID 2916938

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide (CID 1335501) is 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide?
The InChIKey is SCJZTPPERTZDOG-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-9(23-14-7-6-10(17)8-12(14)18)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide?
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide has a molecular weight of 353.21 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 1335501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).