4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide

C23H29Cl2N3O3 — CID 19848616

IUPAC4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccccc2Cl)C(C)(C)CO1
InChIInChI=1S/C23H29Cl2N3O3/c1-4-30-21-10-20(26)19(25)9-17(21)22(29)27-11-16-13-28(23(2,3)14-31-16)12-15-7-5-6-8-18(15)24/h5-10,16H,4,11-14,26H2,1-3H3,(H,27,29)
InChIKeyOSHNLMXSVBNYPH-UHFFFAOYSA-N
MW466.41 g/mol
LogP4.38
Rot. Bonds7

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

4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide (PubChem CID 19848616) has the molecular formula C23H29Cl2N3O3 and a molecular weight of 466.41 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide
PubChem CID19848616
Molecular FormulaC23H29Cl2N3O3
Molecular Weight466.41 g/mol
Exact Mass465.16
IUPAC Name4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccccc2Cl)C(C)(C)CO1
InChIInChI=1S/C23H29Cl2N3O3/c1-4-30-21-10-20(26)19(25)9-17(21)22(29)27-11-16-13-28(23(2,3)14-31-16)12-15-7-5-6-8-18(15)24/h5-10,16H,4,11-14,26H2,1-3H3,(H,27,29)
InChIKeyOSHNLMXSVBNYPH-UHFFFAOYSA-N
XLogP4.38
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide 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

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-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
CID 14877428
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-amino-5-chloro-2-ethoxybenzamide
CID 42635257
4-amino-N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-5-chloro-2-ethoxybenzamide
CID 10093394
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 3087006
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
CID 14881958
4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
CID 14881951
4-amino-5-chloro-N-[[4-[dideuterio-(2,3,5,6-tetradeuterio-4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
CID 25015761
ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 14877396
4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde
CID 143850814
4-amino-5-chloro-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-(3-methylbut-2-enoxy)benzamide
CID 14881964
4-amino-5-chloro-2-methoxy-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 14877438

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide (CID 19848616) is 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide is CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccccc2Cl)C(C)(C)CO1.
What is the InChIKey of 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide?
The InChIKey is OSHNLMXSVBNYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O3/c1-4-30-21-10-20(26)19(25)9-17(21)22(29)27-11-16-13-28(23(2,3)14-31-16)12-15-7-5-6-8-18(15)24/h5-10,16H,4,11-14,26H2,1-3H3,(H,27,29).
What are the key properties of 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide?
4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide has a molecular weight of 466.41 g/mol, XLogP of 4.38, 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-chlorophenyl)methyl]-5,5-dimethylmorpholin-2-yl]methyl]-2-ethoxybenzamide is sourced from PubChem (CID 19848616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).