(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide

C22H16Cl2N2O3 — CID 2200168

IUPAC(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H16Cl2N2O3/c1-13(28-19-11-8-15(23)12-17(19)24)21(27)25-16-9-6-14(7-10-16)22-26-18-4-2-3-5-20(18)29-22/h2-13H,1H3,(H,25,27)/t13-/m1/s1
InChIKeyIYMYFELHROHBDT-CYBMUJFWSA-N
MW427.29 g/mol
LogP6.21
Rot. Bonds5

About (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide

(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 2200168) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID2200168
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC Name(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H16Cl2N2O3/c1-13(28-19-11-8-15(23)12-17(19)24)21(27)25-16-9-6-14(7-10-16)22-26-18-4-2-3-5-20(18)29-22/h2-13H,1H3,(H,25,27)/t13-/m1/s1
InChIKeyIYMYFELHROHBDT-CYBMUJFWSA-N
XLogP6.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4005269
(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2204089
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17172262
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2953604
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674
2-(2,4-dichlorophenoxy)-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 3510655
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
2-(2,4-dichlorophenoxy)-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 4691395
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 9349857

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide (CID 2200168) is (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is IYMYFELHROHBDT-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-13(28-19-11-8-15(23)12-17(19)24)21(27)25-16-9-6-14(7-10-16)22-26-18-4-2-3-5-20(18)29-22/h2-13H,1H3,(H,25,27)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 427.29 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 2200168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).