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

C20H11Cl2FN2O2 — CID 7537272

IUPACN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1F
InChIInChI=1S/C20H11Cl2FN2O2/c21-11-5-8-18-17(9-11)25-20(27-18)14-10-12(6-7-15(14)22)24-19(26)13-3-1-2-4-16(13)23/h1-10H,(H,24,26)
InChIKeyNPDLWTAKYKUPOH-UHFFFAOYSA-N
MW401.22 g/mol
LogP6.19
Rot. Bonds3

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

N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide (PubChem CID 7537272) has the molecular formula C20H11Cl2FN2O2 and a molecular weight of 401.22 g/mol. Its IUPAC name is N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
PubChem CID7537272
Molecular FormulaC20H11Cl2FN2O2
Molecular Weight401.22 g/mol
Exact Mass400.02
IUPAC NameN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1F
InChIInChI=1S/C20H11Cl2FN2O2/c21-11-5-8-18-17(9-11)25-20(27-18)14-10-12(6-7-15(14)22)24-19(26)13-3-1-2-4-16(13)23/h1-10H,(H,24,26)
InChIKeyNPDLWTAKYKUPOH-UHFFFAOYSA-N
XLogP6.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 3118999
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-fluorobenzamide
CID 15998206
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide
CID 2279693
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 3442000
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide (CID 7537272) is N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1F.
What is the InChIKey of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide?
The InChIKey is NPDLWTAKYKUPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FN2O2/c21-11-5-8-18-17(9-11)25-20(27-18)14-10-12(6-7-15(14)22)24-19(26)13-3-1-2-4-16(13)23/h1-10H,(H,24,26).
What are the key properties of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide?
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide has a molecular weight of 401.22 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 7537272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).