6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide

C23H28FN3O6 — CID 118913430

IUPAC6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)NCCN2CCOCC2)c(OC)c1OC
InChIInChI=1S/C23H28FN3O6/c1-30-18-14-17(26-22(28)15-6-4-5-7-16(15)24)19(21(32-3)20(18)31-2)23(29)25-8-9-27-10-12-33-13-11-27/h4-7,14H,8-13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyYAPJBFNNBPGIJP-UHFFFAOYSA-N
MW461.49 g/mol
LogP2.17
Rot. Bonds9

About 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide

6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 118913430) has the molecular formula C23H28FN3O6 and a molecular weight of 461.49 g/mol. Its IUPAC name is 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID118913430
Molecular FormulaC23H28FN3O6
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC Name6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)NCCN2CCOCC2)c(OC)c1OC
InChIInChI=1S/C23H28FN3O6/c1-30-18-14-17(26-22(28)15-6-4-5-7-16(15)24)19(21(32-3)20(18)31-2)23(29)25-8-9-27-10-12-33-13-11-27/h4-7,14H,8-13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyYAPJBFNNBPGIJP-UHFFFAOYSA-N
XLogP2.17
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 118913430) is 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1cc(NC(=O)c2ccccc2F)c(C(=O)NCCN2CCOCC2)c(OC)c1OC.
What is the InChIKey of 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is YAPJBFNNBPGIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O6/c1-30-18-14-17(26-22(28)15-6-4-5-7-16(15)24)19(21(32-3)20(18)31-2)23(29)25-8-9-27-10-12-33-13-11-27/h4-7,14H,8-13H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 461.49 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorobenzoyl)amino]-2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 118913430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).