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

C22H16ClFN2O3 — CID 5346346

IUPAC3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1Cl
InChIInChI=1S/C22H16ClFN2O3/c1-2-28-19-9-7-13(11-16(19)23)21(27)25-14-8-10-20-18(12-14)26-22(29-20)15-5-3-4-6-17(15)24/h3-12H,2H2,1H3,(H,25,27)
InChIKeyQGJKTVSDPOSAIX-UHFFFAOYSA-N
MW410.83 g/mol
LogP5.94
Rot. Bonds5

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

3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 5346346) has the molecular formula C22H16ClFN2O3 and a molecular weight of 410.83 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID5346346
Molecular FormulaC22H16ClFN2O3
Molecular Weight410.83 g/mol
Exact Mass410.08
IUPAC Name3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1Cl
InChIInChI=1S/C22H16ClFN2O3/c1-2-28-19-9-7-13(11-16(19)23)21(27)25-14-8-10-20-18(12-14)26-22(29-20)15-5-3-4-6-17(15)24/h3-12H,2H2,1H3,(H,25,27)
InChIKeyQGJKTVSDPOSAIX-UHFFFAOYSA-N
XLogP5.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.83
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
CID 23987691
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide
CID 135698032
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-bromo-4-ethoxybenzamide
CID 135645663
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3237758
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
CID 3556146

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 5346346) is 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is QGJKTVSDPOSAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O3/c1-2-28-19-9-7-13(11-16(19)23)21(27)25-14-8-10-20-18(12-14)26-22(29-20)15-5-3-4-6-17(15)24/h3-12H,2H2,1H3,(H,25,27).
What are the key properties of 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 410.83 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 5346346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).