5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide

C22H18Cl2N2O3 — CID 46863371

IUPAC5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C22H18Cl2N2O3/c23-15-6-9-17(10-7-15)25-22(29)19(12-14-4-2-1-3-5-14)26-21(28)18-13-16(24)8-11-20(18)27/h1-11,13,19,27H,12H2,(H,25,29)(H,26,28)/t19-/m1/s1
InChIKeyVDXPOMCEKWAGSX-LJQANCHMSA-N
MW429.30 g/mol
LogP4.68
Rot. Bonds6

About 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide

5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide (PubChem CID 46863371) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
PubChem CID46863371
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C22H18Cl2N2O3/c23-15-6-9-17(10-7-15)25-22(29)19(12-14-4-2-1-3-5-14)26-21(28)18-13-16(24)8-11-20(18)27/h1-11,13,19,27H,12H2,(H,25,29)(H,26,28)/t19-/m1/s1
InChIKeyVDXPOMCEKWAGSX-LJQANCHMSA-N
XLogP4.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2S)-1-[[(2S)-1-(3,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-hydroxybenzamide
CID 162650060
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
tert-butyl N-[(2S)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 22876187
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
4-chloro-N-[1-[4-[3-(dimethylamino)propanoylamino]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 146125938
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
(2S)-2-[[(2S)-2-[[(2S)-2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 10602734
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
CID 42725029
N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55945210
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide (CID 46863371) is 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide is O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide?
The InChIKey is VDXPOMCEKWAGSX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c23-15-6-9-17(10-7-15)25-22(29)19(12-14-4-2-1-3-5-14)26-21(28)18-13-16(24)8-11-20(18)27/h1-11,13,19,27H,12H2,(H,25,29)(H,26,28)/t19-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide?
5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide has a molecular weight of 429.30 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 46863371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).