N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide

C21H15FN2O2 — CID 2994943

IUPACN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1F
InChIInChI=1S/C21H15FN2O2/c22-17-6-2-1-5-16(17)20(25)23-13-14-9-11-15(12-10-14)21-24-18-7-3-4-8-19(18)26-21/h1-12H,13H2,(H,23,25)
InChIKeyXKUKGHVXTYMIMW-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.56
Rot. Bonds4

About N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide

N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide (PubChem CID 2994943) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
PubChem CID2994943
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC NameN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1F
InChIInChI=1S/C21H15FN2O2/c22-17-6-2-1-5-16(17)20(25)23-13-14-9-11-15(12-10-14)21-24-18-7-3-4-8-19(18)26-21/h1-12H,13H2,(H,23,25)
InChIKeyXKUKGHVXTYMIMW-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 17163439
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-chlorobenzamide
CID 22777679
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 1259117
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-oxochromen-3-yl)benzamide
CID 17110634
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]naphthalene-2-carboxamide
CID 22780746
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-chloro-5-iodobenzamide
CID 17316424
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17110627
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 17336612
N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 166376841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide (CID 2994943) is N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide is O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1F.
What is the InChIKey of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide?
The InChIKey is XKUKGHVXTYMIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-6-2-1-5-16(17)20(25)23-13-14-9-11-15(12-10-14)21-24-18-7-3-4-8-19(18)26-21/h1-12H,13H2,(H,23,25).
What are the key properties of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide?
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide has a molecular weight of 346.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 2994943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).