N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide

C22H13ClF2N2O2 — CID 11575128

IUPACN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C22H13ClF2N2O2/c23-17-9-6-14(22-26-10-11-29-22)12-16(17)13-4-7-15(8-5-13)27-21(28)20-18(24)2-1-3-19(20)25/h1-12H,(H,27,28)
InChIKeyBIIGGBDTMAWGEQ-UHFFFAOYSA-N
MW410.81 g/mol
LogP6.19
Rot. Bonds4

About N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide

N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide (PubChem CID 11575128) has the molecular formula C22H13ClF2N2O2 and a molecular weight of 410.81 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide
PubChem CID11575128
Molecular FormulaC22H13ClF2N2O2
Molecular Weight410.81 g/mol
Exact Mass410.06
IUPAC NameN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C22H13ClF2N2O2/c23-17-9-6-14(22-26-10-11-29-22)12-16(17)13-4-7-15(8-5-13)27-21(28)20-18(24)2-1-3-19(20)25/h1-12H,(H,27,28)
InChIKeyBIIGGBDTMAWGEQ-UHFFFAOYSA-N
XLogP6.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.81
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide (CID 11575128) is N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide?
The InChIKey is BIIGGBDTMAWGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF2N2O2/c23-17-9-6-14(22-26-10-11-29-22)12-16(17)13-4-7-15(8-5-13)27-21(28)20-18(24)2-1-3-19(20)25/h1-12H,(H,27,28).
What are the key properties of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide?
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide has a molecular weight of 410.81 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 11575128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).