2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide

C22H16BrClN2O3 — CID 17172262

IUPAC2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C22H16BrClN2O3/c1-13(28-19-5-3-2-4-17(19)23)21(27)25-16-9-6-14(7-10-16)22-26-18-12-15(24)8-11-20(18)29-22/h2-13H,1H3,(H,25,27)
InChIKeyMGFJTIMWSGMZMJ-UHFFFAOYSA-N
MW471.74 g/mol
LogP6.32
Rot. Bonds5

About 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide

2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide (PubChem CID 17172262) has the molecular formula C22H16BrClN2O3 and a molecular weight of 471.74 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
PubChem CID17172262
Molecular FormulaC22H16BrClN2O3
Molecular Weight471.74 g/mol
Exact Mass470.00
IUPAC Name2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C22H16BrClN2O3/c1-13(28-19-5-3-2-4-17(19)23)21(27)25-16-9-6-14(7-10-16)22-26-18-12-15(24)8-11-20(18)29-22/h2-13H,1H3,(H,25,27)
InChIKeyMGFJTIMWSGMZMJ-UHFFFAOYSA-N
XLogP6.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.74
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
2-(2,4-dichlorophenoxy)-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4005269
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259645
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide (CID 17172262) is 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide is CC(Oc1ccccc1Br)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide?
The InChIKey is MGFJTIMWSGMZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClN2O3/c1-13(28-19-5-3-2-4-17(19)23)21(27)25-16-9-6-14(7-10-16)22-26-18-12-15(24)8-11-20(18)29-22/h2-13H,1H3,(H,25,27).
What are the key properties of 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide?
2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide has a molecular weight of 471.74 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 17172262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).