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

C20H11Cl2FN2O2 — CID 3952497

IUPAC3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H11Cl2FN2O2/c21-14-7-5-11(9-15(14)22)19(26)24-12-6-8-18-17(10-12)25-20(27-18)13-3-1-2-4-16(13)23/h1-10H,(H,24,26)
InChIKeyZPKMPHWMDBXZBX-UHFFFAOYSA-N
MW401.22 g/mol
LogP6.19
Rot. Bonds3

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

3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 3952497) has the molecular formula C20H11Cl2FN2O2 and a molecular weight of 401.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID3952497
Molecular FormulaC20H11Cl2FN2O2
Molecular Weight401.22 g/mol
Exact Mass400.02
IUPAC Name3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H11Cl2FN2O2/c21-14-7-5-11(9-15(14)22)19(26)24-12-6-8-18-17(10-12)25-20(27-18)13-3-1-2-4-16(13)23/h1-10H,(H,24,26)
InChIKeyZPKMPHWMDBXZBX-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

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5346346
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
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
3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
CID 155511738
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964
4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
CID 23987691
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 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 3952497) is 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is ZPKMPHWMDBXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FN2O2/c21-14-7-5-11(9-15(14)22)19(26)24-12-6-8-18-17(10-12)25-20(27-18)13-3-1-2-4-16(13)23/h1-10H,(H,24,26).
What are the key properties of 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide 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 3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 3952497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).