2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide

C18H17ClN2O2 — CID 91683703

IUPAC2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
SMILESCc1cc2nc(-c3ccc(C)c(NC(=O)CCl)c3)oc2cc1C
InChIInChI=1S/C18H17ClN2O2/c1-10-4-5-13(8-14(10)20-17(22)9-19)18-21-15-6-11(2)12(3)7-16(15)23-18/h4-8H,9H2,1-3H3,(H,20,22)
InChIKeyDBKCSWJRSWNBNF-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.60
Rot. Bonds3

About 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide

2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (PubChem CID 91683703) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
PubChem CID91683703
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
SMILESCc1cc2nc(-c3ccc(C)c(NC(=O)CCl)c3)oc2cc1C
InChIInChI=1S/C18H17ClN2O2/c1-10-4-5-13(8-14(10)20-17(22)9-19)18-21-15-6-11(2)12(3)7-16(15)23-18/h4-8H,9H2,1-3H3,(H,20,22)
InChIKeyDBKCSWJRSWNBNF-UHFFFAOYSA-N
XLogP4.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,4-dimethylbenzamide
CID 17092390
2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 51985215
N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 1366787
5-(4-chlorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 17092473
3-bromo-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 17092399
N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 17092510
N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide
CID 91683717
4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 17092486
N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
CID 1209262
2-(4-bromophenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 17092504
5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 17092477
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (CID 91683703) is 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is Cc1cc2nc(-c3ccc(C)c(NC(=O)CCl)c3)oc2cc1C.
What is the InChIKey of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The InChIKey is DBKCSWJRSWNBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-10-4-5-13(8-14(10)20-17(22)9-19)18-21-15-6-11(2)12(3)7-16(15)23-18/h4-8H,9H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 91683703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).