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

C26H31F2N3O4 — CID 46059920

IUPACN-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)CC2CN(C(=O)c3ccc(F)cc3F)CCO2)cc1
InChIInChI=1S/C26H31F2N3O4/c1-19-2-4-20(5-3-19)25(32)30(9-8-29-10-13-34-14-11-29)17-22-18-31(12-15-35-22)26(33)23-7-6-21(27)16-24(23)28/h2-7,16,22H,8-15,17-18H2,1H3
InChIKeyLXTXSSPGDPXCCG-UHFFFAOYSA-N
MW487.55 g/mol
LogP2.59
Rot. Bonds7

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

N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46059920) has the molecular formula C26H31F2N3O4 and a molecular weight of 487.55 g/mol. Its IUPAC name is N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46059920
Molecular FormulaC26H31F2N3O4
Molecular Weight487.55 g/mol
Exact Mass487.23
IUPAC NameN-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)CC2CN(C(=O)c3ccc(F)cc3F)CCO2)cc1
InChIInChI=1S/C26H31F2N3O4/c1-19-2-4-20(5-3-19)25(32)30(9-8-29-10-13-34-14-11-29)17-22-18-31(12-15-35-22)26(33)23-7-6-21(27)16-24(23)28/h2-7,16,22H,8-15,17-18H2,1H3
InChIKeyLXTXSSPGDPXCCG-UHFFFAOYSA-N
XLogP2.59
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-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-[[(2S)-4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 93338336
N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92988251
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]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[(2R)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 92988261
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-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
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-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 46059920) is N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C(=O)N(CCN2CCOCC2)CC2CN(C(=O)c3ccc(F)cc3F)CCO2)cc1.
What is the InChIKey of N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is LXTXSSPGDPXCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O4/c1-19-2-4-20(5-3-19)25(32)30(9-8-29-10-13-34-14-11-29)17-22-18-31(12-15-35-22)26(33)23-7-6-21(27)16-24(23)28/h2-7,16,22H,8-15,17-18H2,1H3.
What are the key properties of N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 487.55 g/mol, XLogP of 2.59, 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-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46059920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).