N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide

C21H14ClFN2O2 — CID 2844849

IUPACN-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide
SMILESCc1ccc(-c2nc3ccc(Cl)cc3o2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H14ClFN2O2/c1-12-6-7-13(21-25-17-9-8-14(22)11-19(17)27-21)10-18(12)24-20(26)15-4-2-3-5-16(15)23/h2-11H,1H3,(H,24,26)
InChIKeyVVVLCOODOBRASL-UHFFFAOYSA-N
MW380.81 g/mol
LogP5.85
Rot. Bonds3

About N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide

N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide (PubChem CID 2844849) has the molecular formula C21H14ClFN2O2 and a molecular weight of 380.81 g/mol. Its IUPAC name is N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide
PubChem CID2844849
Molecular FormulaC21H14ClFN2O2
Molecular Weight380.81 g/mol
Exact Mass380.07
IUPAC NameN-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide
SMILESCc1ccc(-c2nc3ccc(Cl)cc3o2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H14ClFN2O2/c1-12-6-7-13(21-25-17-9-8-14(22)11-19(17)27-21)10-18(12)24-20(26)15-4-2-3-5-16(15)23/h2-11H,1H3,(H,24,26)
InChIKeyVVVLCOODOBRASL-UHFFFAOYSA-N
XLogP5.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.81
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide (CID 2844849) is N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide is Cc1ccc(-c2nc3ccc(Cl)cc3o2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide?
The InChIKey is VVVLCOODOBRASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2/c1-12-6-7-13(21-25-17-9-8-14(22)11-19(17)27-21)10-18(12)24-20(26)15-4-2-3-5-16(15)23/h2-11H,1H3,(H,24,26).
What are the key properties of N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide?
N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide has a molecular weight of 380.81 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 2844849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).