2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide

C17H14Cl2N2O2 — CID 52717820

IUPAC2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
SMILESCCc1nc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2o1
InChIInChI=1S/C17H14Cl2N2O2/c1-2-17-21-14-9-11(4-6-15(14)23-17)20-16(22)8-10-3-5-12(18)13(19)7-10/h3-7,9H,2,8H2,1H3,(H,20,22)
InChIKeyVDWNKFRHUWVXFS-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.88
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide

2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 52717820) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID52717820
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
SMILESCCc1nc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2o1
InChIInChI=1S/C17H14Cl2N2O2/c1-2-17-21-14-9-11(4-6-15(14)23-17)20-16(22)8-10-3-5-12(18)13(19)7-10/h3-7,9H,2,8H2,1H3,(H,20,22)
InChIKeyVDWNKFRHUWVXFS-UHFFFAOYSA-N
XLogP4.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
CID 6986797
2-(4-bromophenyl)-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]acetamide
CID 3013304
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-(4-fluorophenyl)acetamide
CID 3013305
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide (CID 52717820) is 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide is CCc1nc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2o1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is VDWNKFRHUWVXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-2-17-21-14-9-11(4-6-15(14)23-17)20-16(22)8-10-3-5-12(18)13(19)7-10/h3-7,9H,2,8H2,1H3,(H,20,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide?
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 349.22 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 52717820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).