2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

C19H20IN3O3 — CID 35014699

IUPAC2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20IN3O3/c20-17-4-2-1-3-16(17)19(25)21-13-18(24)22-14-5-7-15(8-6-14)23-9-11-26-12-10-23/h1-8H,9-13H2,(H,21,25)(H,22,24)
InChIKeyJZTCWELFFYRMBN-UHFFFAOYSA-N
MW465.29 g/mol
LogP2.50
Rot. Bonds5

About 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (PubChem CID 35014699) has the molecular formula C19H20IN3O3 and a molecular weight of 465.29 g/mol. Its IUPAC name is 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
PubChem CID35014699
Molecular FormulaC19H20IN3O3
Molecular Weight465.29 g/mol
Exact Mass465.05
IUPAC Name2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20IN3O3/c20-17-4-2-1-3-16(17)19(25)21-13-18(24)22-14-5-7-15(8-6-14)23-9-11-26-12-10-23/h1-8H,9-13H2,(H,21,25)(H,22,24)
InChIKeyJZTCWELFFYRMBN-UHFFFAOYSA-N
XLogP2.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
2-amino-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 61253868
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 30267909
3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 121092010
N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 4798851
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (CID 35014699) is 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1I)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is JZTCWELFFYRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O3/c20-17-4-2-1-3-16(17)19(25)21-13-18(24)22-14-5-7-15(8-6-14)23-9-11-26-12-10-23/h1-8H,9-13H2,(H,21,25)(H,22,24).
What are the key properties of 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 465.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 35014699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).