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

C25H29ClFN3O4 — CID 42861929

IUPACN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H29ClFN3O4/c26-21-5-1-19(2-6-21)25(32)30-13-16-34-23(18-30)17-29(10-9-28-11-14-33-15-12-28)24(31)20-3-7-22(27)8-4-20/h1-8,23H,9-18H2
InChIKeyDJFHEBMKHKNQBE-UHFFFAOYSA-N
MW489.98 g/mol
LogP2.79
Rot. Bonds7

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

N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42861929) has the molecular formula C25H29ClFN3O4 and a molecular weight of 489.98 g/mol. Its IUPAC name is N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42861929
Molecular FormulaC25H29ClFN3O4
Molecular Weight489.98 g/mol
Exact Mass489.18
IUPAC NameN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H29ClFN3O4/c26-21-5-1-19(2-6-21)25(32)30-13-16-34-23(18-30)17-29(10-9-28-11-14-33-15-12-28)24(31)20-3-7-22(27)8-4-20/h1-8,23H,9-18H2
InChIKeyDJFHEBMKHKNQBE-UHFFFAOYSA-N
XLogP2.79
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
N-[[4-[3-(4-chlorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42862338
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-[[(2R)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 92988291
N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92988251
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635
4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862340

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 42861929) is N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is O=C(c1ccc(Cl)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is DJFHEBMKHKNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN3O4/c26-21-5-1-19(2-6-21)25(32)30-13-16-34-23(18-30)17-29(10-9-28-11-14-33-15-12-28)24(31)20-3-7-22(27)8-4-20/h1-8,23H,9-18H2.
What are the key properties of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 489.98 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42861929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).