N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride

C21H13Cl2F2N3O2 — CID 24776094

IUPACN-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)nc1)c1c(F)cccc1F
InChIInChI=1S/C21H12ClF2N3O2.ClH/c22-15-6-4-12(21-25-8-9-29-21)10-14(15)18-7-5-13(11-26-18)27-20(28)19-16(23)2-1-3-17(19)24;/h1-11H,(H,27,28);1H
InChIKeyOLKOFYQDUSHFFU-UHFFFAOYSA-N
MW448.26 g/mol
LogP6.01
Rot. Bonds4

About N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride

N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride (PubChem CID 24776094) has the molecular formula C21H13Cl2F2N3O2 and a molecular weight of 448.26 g/mol. Its IUPAC name is N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
PubChem CID24776094
Molecular FormulaC21H13Cl2F2N3O2
Molecular Weight448.26 g/mol
Exact Mass447.04
IUPAC NameN-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)nc1)c1c(F)cccc1F
InChIInChI=1S/C21H12ClF2N3O2.ClH/c22-15-6-4-12(21-25-8-9-29-21)10-14(15)18-7-5-13(11-26-18)27-20(28)19-16(23)2-1-3-17(19)24;/h1-11H,(H,27,28);1H
InChIKeyOLKOFYQDUSHFFU-UHFFFAOYSA-N
XLogP6.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.26
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride with MolForge

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Related Compounds

2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875776
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875603
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 54596606
1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea
CID 143518226
N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86764413
N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
CID 110728878
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
CID 73052207
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]benzamide
CID 173155107

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride?
The IUPAC name of N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride (CID 24776094) is N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride.
What is the SMILES notation for N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride?
The canonical SMILES for N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride is Cl.O=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)nc1)c1c(F)cccc1F.
What is the InChIKey of N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride?
The InChIKey is OLKOFYQDUSHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF2N3O2.ClH/c22-15-6-4-12(21-25-8-9-29-21)10-14(15)18-7-5-13(11-26-18)27-20(28)19-16(23)2-1-3-17(19)24;/h1-11H,(H,27,28);1H.
What are the key properties of N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride?
N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride has a molecular weight of 448.26 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride is sourced from PubChem (CID 24776094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).