N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

C17H14ClFN2O2 — CID 7333470

IUPACN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1
InChIInChI=1S/C17H14ClFN2O2/c1-9(2)16(22)20-11-4-6-15-14(8-11)21-17(23-15)12-5-3-10(19)7-13(12)18/h3-9H,1-2H3,(H,20,22)
InChIKeyKHZOKLKYEQCYQB-UHFFFAOYSA-N
MW332.76 g/mol
LogP4.88
Rot. Bonds3

About N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (PubChem CID 7333470) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
PubChem CID7333470
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1
InChIInChI=1S/C17H14ClFN2O2/c1-9(2)16(22)20-11-4-6-15-14(8-11)21-17(23-15)12-5-3-10(19)7-13(12)18/h3-9H,1-2H3,(H,20,22)
InChIKeyKHZOKLKYEQCYQB-UHFFFAOYSA-N
XLogP4.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide
CID 875923
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
CID 1369889
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17101720
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 1327247
N-[2-(5-chloro-2-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 67332100
N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
CID 19631776
N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 17219378
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
CID 19631777
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (CID 7333470) is N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The InChIKey is KHZOKLKYEQCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-9(2)16(22)20-11-4-6-15-14(8-11)21-17(23-15)12-5-3-10(19)7-13(12)18/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide has a molecular weight of 332.76 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 7333470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).