N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide

C20H12ClFN2O2 — CID 1205346

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H12ClFN2O2/c21-14-5-10-18-17(11-14)24-20(26-18)13-3-8-16(9-4-13)23-19(25)12-1-6-15(22)7-2-12/h1-11H,(H,23,25)
InChIKeyYISNHAZKYIIPIJ-UHFFFAOYSA-N
MW366.78 g/mol
LogP5.54
Rot. Bonds3

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

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide (PubChem CID 1205346) has the molecular formula C20H12ClFN2O2 and a molecular weight of 366.78 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
PubChem CID1205346
Molecular FormulaC20H12ClFN2O2
Molecular Weight366.78 g/mol
Exact Mass366.06
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H12ClFN2O2/c21-14-5-10-18-17(11-14)24-20(26-18)13-3-8-16(9-4-13)23-19(25)12-1-6-15(22)7-2-12/h1-11H,(H,23,25)
InChIKeyYISNHAZKYIIPIJ-UHFFFAOYSA-N
XLogP5.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.78
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-fluorobenzamide
CID 1338265
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 46230595
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110595
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3460045
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,5-diiodobenzamide
CID 46495863
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1101614

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide (CID 1205346) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide is O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide?
The InChIKey is YISNHAZKYIIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O2/c21-14-5-10-18-17(11-14)24-20(26-18)13-3-8-16(9-4-13)23-19(25)12-1-6-15(22)7-2-12/h1-11H,(H,23,25).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide has a molecular weight of 366.78 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 1205346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).