3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C25H29F2N3O4 — CID 42861962

IUPAC3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C25H29F2N3O4/c26-21-6-4-19(5-7-21)24(31)30-12-15-34-23(18-30)17-29(9-8-28-10-13-33-14-11-28)25(32)20-2-1-3-22(27)16-20/h1-7,16,23H,8-15,17-18H2
InChIKeyKZPRMMUBSBDONO-UHFFFAOYSA-N
MW473.52 g/mol
LogP2.28
Rot. Bonds7

About 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42861962) has the molecular formula C25H29F2N3O4 and a molecular weight of 473.52 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42861962
Molecular FormulaC25H29F2N3O4
Molecular Weight473.52 g/mol
Exact Mass473.21
IUPAC Name3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C25H29F2N3O4/c26-21-6-4-19(5-7-21)24(31)30-12-15-34-23(18-30)17-29(9-8-28-10-13-33-14-11-28)25(32)20-2-1-3-22(27)16-20/h1-7,16,23H,8-15,17-18H2
InChIKeyKZPRMMUBSBDONO-UHFFFAOYSA-N
XLogP2.28
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 92988291
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42861929
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635
N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 46060405
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338217
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46060357
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 42861962) is 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(c1ccc(F)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KZPRMMUBSBDONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O4/c26-21-6-4-19(5-7-21)24(31)30-12-15-34-23(18-30)17-29(9-8-28-10-13-33-14-11-28)25(32)20-2-1-3-22(27)16-20/h1-7,16,23H,8-15,17-18H2.
What are the key properties of 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 473.52 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42861962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).