2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide

C16H12ClN3O3 — CID 599952

IUPAC2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide
SMILESCc1nc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2o1
InChIInChI=1S/C16H12ClN3O3/c1-9-18-13-7-6-10(8-14(13)23-9)19-16(22)20-15(21)11-4-2-3-5-12(11)17/h2-8H,1H3,(H2,19,20,21,22)
InChIKeyLUOADOODLAMDRT-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide

2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide (PubChem CID 599952) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide
PubChem CID599952
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide
SMILESCc1nc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2o1
InChIInChI=1S/C16H12ClN3O3/c1-9-18-13-7-6-10(8-14(13)23-9)19-16(22)20-15(21)11-4-2-3-5-12(11)17/h2-8H,1H3,(H2,19,20,21,22)
InChIKeyLUOADOODLAMDRT-UHFFFAOYSA-N
XLogP3.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide (CID 599952) is 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide is Cc1nc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2o1.
What is the InChIKey of 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide?
The InChIKey is LUOADOODLAMDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-9-18-13-7-6-10(8-14(13)23-9)19-16(22)20-15(21)11-4-2-3-5-12(11)17/h2-8H,1H3,(H2,19,20,21,22).
What are the key properties of 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide?
2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide has a molecular weight of 329.74 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]benzamide is sourced from PubChem (CID 599952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).