N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide

C23H20Cl2N2O3 — CID 1179514

IUPACN-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl2N2O3/c1-15(22(28)27-21-13-18(24)9-12-20(21)25)30-19-10-7-17(8-11-19)23(29)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)/t15-/m1/s1
InChIKeyZHQDANYITCKMRR-OAHLLOKOSA-N
MW443.33 g/mol
LogP5.33
Rot. Bonds7

About N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide

N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 1179514) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID1179514
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC NameN-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl2N2O3/c1-15(22(28)27-21-13-18(24)9-12-20(21)25)30-19-10-7-17(8-11-19)23(29)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)/t15-/m1/s1
InChIKeyZHQDANYITCKMRR-OAHLLOKOSA-N
XLogP5.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709326
4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 11839643
benzyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4066862
(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604763
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
CID 2792535
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide (CID 1179514) is N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide is C[C@@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is ZHQDANYITCKMRR-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-15(22(28)27-21-13-18(24)9-12-20(21)25)30-19-10-7-17(8-11-19)23(29)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)/t15-/m1/s1.
What are the key properties of N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide?
N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 443.33 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 1179514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).