2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide

C21H15ClN2O3 — CID 3309852

IUPAC2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nc2c1
InChIInChI=1S/C21H15ClN2O3/c1-26-15-9-10-19-18(12-15)24-21(27-19)13-5-4-6-14(11-13)23-20(25)16-7-2-3-8-17(16)22/h2-12H,1H3,(H,23,25)
InChIKeyIKJREHHFNIHQJK-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.41
Rot. Bonds4

About 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide

2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 3309852) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID3309852
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nc2c1
InChIInChI=1S/C21H15ClN2O3/c1-26-15-9-10-19-18(12-15)24-21(27-19)13-5-4-6-14(11-13)23-20(25)16-7-2-3-8-17(16)22/h2-12H,1H3,(H,23,25)
InChIKeyIKJREHHFNIHQJK-UHFFFAOYSA-N
XLogP5.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 3512132
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 4665629
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
CID 16848752
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 3970045
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17162616
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 3309852) is 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc2oc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nc2c1.
What is the InChIKey of 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is IKJREHHFNIHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c1-26-15-9-10-19-18(12-15)24-21(27-19)13-5-4-6-14(11-13)23-20(25)16-7-2-3-8-17(16)22/h2-12H,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 378.82 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 3309852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).