(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide

C23H18Cl2N2O4 — CID 2204089

IUPAC(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N2O4/c1-13(30-19-10-8-15(24)12-16(19)25)22(28)26-18-11-14(7-9-20(18)29-2)23-27-17-5-3-4-6-21(17)31-23/h3-13H,1-2H3,(H,26,28)/t13-/m1/s1
InChIKeyGVFHUCBBNAKFAY-CYBMUJFWSA-N
MW457.31 g/mol
LogP6.22
Rot. Bonds6

About (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide

(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 2204089) has the molecular formula C23H18Cl2N2O4 and a molecular weight of 457.31 g/mol. Its IUPAC name is (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID2204089
Molecular FormulaC23H18Cl2N2O4
Molecular Weight457.31 g/mol
Exact Mass456.06
IUPAC Name(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N2O4/c1-13(30-19-10-8-15(24)12-16(19)25)22(28)26-18-11-14(7-9-20(18)29-2)23-27-17-5-3-4-6-21(17)31-23/h3-13H,1-2H3,(H,26,28)/t13-/m1/s1
InChIKeyGVFHUCBBNAKFAY-CYBMUJFWSA-N
XLogP6.22
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.31
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2953604
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
2-(2,4-dichlorophenoxy)-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4005269
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 5218321
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
CID 2900094
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
2-(2,4-dichlorophenoxy)-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 4691395

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide (CID 2204089) is (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is GVFHUCBBNAKFAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H18Cl2N2O4/c1-13(30-19-10-8-15(24)12-16(19)25)22(28)26-18-11-14(7-9-20(18)29-2)23-27-17-5-3-4-6-21(17)31-23/h3-13H,1-2H3,(H,26,28)/t13-/m1/s1.
What are the key properties of (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide?
(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 457.31 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 2204089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).