N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide

C20H13ClN2O2 — CID 3968196

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O2/c21-16-9-2-1-8-15(16)19(24)22-14-7-5-6-13(12-14)20-23-17-10-3-4-11-18(17)25-20/h1-12H,(H,22,24)
InChIKeyRMPIAPXQCDGMMG-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.40
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide (PubChem CID 3968196) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
PubChem CID3968196
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O2/c21-16-9-2-1-8-15(16)19(24)22-14-7-5-6-13(12-14)20-23-17-10-3-4-11-18(17)25-20/h1-12H,(H,22,24)
InChIKeyRMPIAPXQCDGMMG-UHFFFAOYSA-N
XLogP5.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3309852
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 2183818
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
CID 16848752
2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1361161
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 2-methylbenzenecarbothioate
CID 22300609
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide (CID 3968196) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide is O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1Cl.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide?
The InChIKey is RMPIAPXQCDGMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-16-9-2-1-8-15(16)19(24)22-14-7-5-6-13(12-14)20-23-17-10-3-4-11-18(17)25-20/h1-12H,(H,22,24).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide has a molecular weight of 348.79 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 3968196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).