3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide

C18H16ClN3O4 — CID 8986813

IUPAC3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)c1
InChIInChI=1S/C18H16ClN3O4/c1-2-20-17(24)11-4-3-5-13(8-11)21-16(23)10-22-14-7-6-12(19)9-15(14)26-18(22)25/h3-9H,2,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyCVWRDRLTOLHYSP-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.64
Rot. Bonds5

About 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide

3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide (PubChem CID 8986813) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide
PubChem CID8986813
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)c1
InChIInChI=1S/C18H16ClN3O4/c1-2-20-17(24)11-4-3-5-13(8-11)21-16(23)10-22-14-7-6-12(19)9-15(14)26-18(22)25/h3-9H,2,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyCVWRDRLTOLHYSP-UHFFFAOYSA-N
XLogP2.64
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
ethyl 3-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9228382
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
CID 47077545
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 9225411
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8986115
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
CID 8986413
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide
CID 7809144

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide (CID 8986813) is 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)c1.
What is the InChIKey of 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is CVWRDRLTOLHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-2-20-17(24)11-4-3-5-13(8-11)21-16(23)10-22-14-7-6-12(19)9-15(14)26-18(22)25/h3-9H,2,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide?
3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 373.80 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 8986813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).