4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide

C21H24ClF2N3O3 — CID 14877428

IUPAC4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2F)CCO1
InChIInChI=1S/C21H24ClF2N3O3/c1-2-29-20-9-19(25)17(22)8-16(20)21(28)26-10-15-12-27(5-6-30-15)11-13-3-4-14(23)7-18(13)24/h3-4,7-9,15H,2,5-6,10-12,25H2,1H3,(H,26,28)
InChIKeyMMKGBABWESAOLC-UHFFFAOYSA-N
MW439.89 g/mol
LogP3.23
Rot. Bonds7

About 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide

4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide (PubChem CID 14877428) has the molecular formula C21H24ClF2N3O3 and a molecular weight of 439.89 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
PubChem CID14877428
Molecular FormulaC21H24ClF2N3O3
Molecular Weight439.89 g/mol
Exact Mass439.15
IUPAC Name4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2F)CCO1
InChIInChI=1S/C21H24ClF2N3O3/c1-2-29-20-9-19(25)17(22)8-16(20)21(28)26-10-15-12-27(5-6-30-15)11-13-3-4-14(23)7-18(13)24/h3-4,7-9,15H,2,5-6,10-12,25H2,1H3,(H,26,28)
InChIKeyMMKGBABWESAOLC-UHFFFAOYSA-N
XLogP3.23
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.89
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-N-[[4-[dideuterio-(2,3,5,6-tetradeuterio-4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
CID 25015761
4-amino-5-chloro-N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide;hydrate;hydrochloride
CID 21156202
4-amino-5-chloro-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-(3-methylbut-2-enoxy)benzamide
CID 14881964
4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
CID 14881951
5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide
CID 168526206
4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde
CID 143850814
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
CID 14881958
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 3087006
4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide;4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 69401210
4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide
CID 59510491
methyl 3-amino-1-[2-chloro-5-ethoxy-4-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methylcarbamoyl]phenyl]-4-cyanopyrrole-2-carboxylate
CID 168547646
4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 3087008

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide (CID 14877428) is 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide is CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2F)CCO1.
What is the InChIKey of 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide?
The InChIKey is MMKGBABWESAOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF2N3O3/c1-2-29-20-9-19(25)17(22)8-16(20)21(28)26-10-15-12-27(5-6-30-15)11-13-3-4-14(23)7-18(13)24/h3-4,7-9,15H,2,5-6,10-12,25H2,1H3,(H,26,28).
What are the key properties of 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide?
4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide has a molecular weight of 439.89 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide is sourced from PubChem (CID 14877428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).