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

C25H28F3N3O4 — CID 46059905

IUPACN-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(CCN1CCOCC1)CC1CN(C(=O)c2ccc(F)cc2F)CCO1
InChIInChI=1S/C25H28F3N3O4/c26-19-3-1-18(2-4-19)24(32)30(8-7-29-9-12-34-13-10-29)16-21-17-31(11-14-35-21)25(33)22-6-5-20(27)15-23(22)28/h1-6,15,21H,7-14,16-17H2
InChIKeyMDNMLCQHYVJXBT-UHFFFAOYSA-N
MW491.51 g/mol
LogP2.42
Rot. Bonds7

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

N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46059905) has the molecular formula C25H28F3N3O4 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46059905
Molecular FormulaC25H28F3N3O4
Molecular Weight491.51 g/mol
Exact Mass491.20
IUPAC NameN-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(CCN1CCOCC1)CC1CN(C(=O)c2ccc(F)cc2F)CCO1
InChIInChI=1S/C25H28F3N3O4/c26-19-3-1-18(2-4-19)24(32)30(8-7-29-9-12-34-13-10-29)16-21-17-31(11-14-35-21)25(33)22-6-5-20(27)15-23(22)28/h1-6,15,21H,7-14,16-17H2
InChIKeyMDNMLCQHYVJXBT-UHFFFAOYSA-N
XLogP2.42
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42861929
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-[[(2R)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 92988291
N-[[(2S)-4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 93338336
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338217
4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862340
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
CID 42861711

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 46059905) is N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is O=C(c1ccc(F)cc1)N(CCN1CCOCC1)CC1CN(C(=O)c2ccc(F)cc2F)CCO1.
What is the InChIKey of N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is MDNMLCQHYVJXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O4/c26-19-3-1-18(2-4-19)24(32)30(8-7-29-9-12-34-13-10-29)16-21-17-31(11-14-35-21)25(33)22-6-5-20(27)15-23(22)28/h1-6,15,21H,7-14,16-17H2.
What are the key properties of N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 491.51 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46059905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).