2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide

C30H25Cl2F6N3O4 — CID 11308415

IUPAC2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H25Cl2F6N3O4/c31-21-13-18(26(25(32)17-21)45-12-9-41-7-10-44-11-8-41)14-24(27(42)39-22-5-1-3-19(15-22)29(33,34)35)28(43)40-23-6-2-4-20(16-23)30(36,37)38/h1-6,13-17H,7-12H2,(H,39,42)(H,40,43)
InChIKeyJHBPNHAZRNTYGQ-UHFFFAOYSA-N
MW676.44 g/mol
LogP7.40
Rot. Bonds9

About 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide

2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 11308415) has the molecular formula C30H25Cl2F6N3O4 and a molecular weight of 676.44 g/mol. Its IUPAC name is 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID11308415
Molecular FormulaC30H25Cl2F6N3O4
Molecular Weight676.44 g/mol
Exact Mass675.11
IUPAC Name2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H25Cl2F6N3O4/c31-21-13-18(26(25(32)17-21)45-12-9-41-7-10-44-11-8-41)14-24(27(42)39-22-5-1-3-19(15-22)29(33,34)35)28(43)40-23-6-2-4-20(16-23)30(36,37)38/h1-6,13-17H,7-12H2,(H,39,42)(H,40,43)
InChIKeyJHBPNHAZRNTYGQ-UHFFFAOYSA-N
XLogP7.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.44
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide 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

(E)-2-cyano-3-(3,5-dichloro-2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 126045003
(E)-2-cyano-3-[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 126050365
(E)-2-cyano-3-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 126056488
1-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 59258756
(E)-2-cyano-3-[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 126049940
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 70473463
1-N-(2-morpholin-4-ylethyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108973686
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 97067662
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109344513
(2Z)-2-[(4-chlorophenyl)methylidene]-N-(2-chloro-4-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 11317597
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide (CID 11308415) is 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide is O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is JHBPNHAZRNTYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2F6N3O4/c31-21-13-18(26(25(32)17-21)45-12-9-41-7-10-44-11-8-41)14-24(27(42)39-22-5-1-3-19(15-22)29(33,34)35)28(43)40-23-6-2-4-20(16-23)30(36,37)38/h1-6,13-17H,7-12H2,(H,39,42)(H,40,43).
What are the key properties of 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide?
2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 676.44 g/mol, XLogP of 7.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 11308415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).