N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide

C23H18Cl2N2O3 — CID 30308653

IUPACN-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c1-23(2,30-16-6-4-3-5-7-16)22(28)27-18-12-14(8-10-17(18)25)21-26-19-13-15(24)9-11-20(19)29-21/h3-13H,1-2H3,(H,27,28)
InChIKeyMFCSASDNKRMUEU-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.60
Rot. Bonds5

About N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide

N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide (PubChem CID 30308653) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
PubChem CID30308653
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC NameN-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c1-23(2,30-16-6-4-3-5-7-16)22(28)27-18-12-14(8-10-17(18)25)21-26-19-13-15(24)9-11-20(19)29-21/h3-13H,1-2H3,(H,27,28)
InChIKeyMFCSASDNKRMUEU-UHFFFAOYSA-N
XLogP6.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17336021
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30307943
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17110968
2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 30307954
N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308020
2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17116966
N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308576
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308293
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3996147
2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 30308084
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308147

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide (CID 30308653) is N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide is CC(C)(Oc1ccccc1)C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide?
The InChIKey is MFCSASDNKRMUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-23(2,30-16-6-4-3-5-7-16)22(28)27-18-12-14(8-10-17(18)25)21-26-19-13-15(24)9-11-20(19)29-21/h3-13H,1-2H3,(H,27,28).
What are the key properties of N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide?
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide has a molecular weight of 441.31 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).