N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide

C25H15ClF2N2O3 — CID 21214904

IUPACN-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1
InChIInChI=1S/C25H15ClF2N2O3/c26-18-12-20(28)19(27)11-17(18)25-30-21-10-15(8-9-23(21)33-25)29-24(31)13-32-22-7-3-5-14-4-1-2-6-16(14)22/h1-12H,13H2,(H,29,31)
InChIKeyHDJMFQHCODNLFV-UHFFFAOYSA-N
MW464.86 g/mol
LogP6.60
Rot. Bonds5

About N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide

N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide (PubChem CID 21214904) has the molecular formula C25H15ClF2N2O3 and a molecular weight of 464.86 g/mol. Its IUPAC name is N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide
PubChem CID21214904
Molecular FormulaC25H15ClF2N2O3
Molecular Weight464.86 g/mol
Exact Mass464.07
IUPAC NameN-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1
InChIInChI=1S/C25H15ClF2N2O3/c26-18-12-20(28)19(27)11-17(18)25-30-21-10-15(8-9-23(21)33-25)29-24(31)13-32-22-7-3-5-14-4-1-2-6-16(14)22/h1-12H,13H2,(H,29,31)
InChIKeyHDJMFQHCODNLFV-UHFFFAOYSA-N
XLogP6.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-(2-nitrophenoxy)acetamide
CID 21214903
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 21213263
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 21214900
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 17117236
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 17110936
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318807
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 1327247
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
CID 1290304
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 29246489
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3635368
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308293
2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
CID 4595683

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide (CID 21214904) is N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1.
What is the InChIKey of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is HDJMFQHCODNLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF2N2O3/c26-18-12-20(28)19(27)11-17(18)25-30-21-10-15(8-9-23(21)33-25)29-24(31)13-32-22-7-3-5-14-4-1-2-6-16(14)22/h1-12H,13H2,(H,29,31).
What are the key properties of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide?
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 464.86 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-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 21214904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).