2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide

C17H15Cl2IN2O2 — CID 3968174

IUPAC2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(I)ccc1Cl
InChIInChI=1S/C17H15Cl2IN2O2/c18-13-5-4-11(20)10-12(13)17(23)21-15-3-1-2-14(19)16(15)22-6-8-24-9-7-22/h1-5,10H,6-9H2,(H,21,23)
InChIKeyORUWZQBPAFHAQZ-UHFFFAOYSA-N
MW477.13 g/mol
LogP4.69
Rot. Bonds3

About 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide

2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide (PubChem CID 3968174) has the molecular formula C17H15Cl2IN2O2 and a molecular weight of 477.13 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
PubChem CID3968174
Molecular FormulaC17H15Cl2IN2O2
Molecular Weight477.13 g/mol
Exact Mass475.96
IUPAC Name2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(I)ccc1Cl
InChIInChI=1S/C17H15Cl2IN2O2/c18-13-5-4-11(20)10-12(13)17(23)21-15-3-1-2-14(19)16(15)22-6-8-24-9-7-22/h1-5,10H,6-9H2,(H,21,23)
InChIKeyORUWZQBPAFHAQZ-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.13
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
CID 55507135
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 126811432
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 30461617
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35192310
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30605699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide (CID 3968174) is 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(I)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide?
The InChIKey is ORUWZQBPAFHAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2IN2O2/c18-13-5-4-11(20)10-12(13)17(23)21-15-3-1-2-14(19)16(15)22-6-8-24-9-7-22/h1-5,10H,6-9H2,(H,21,23).
What are the key properties of 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide?
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide has a molecular weight of 477.13 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide is sourced from PubChem (CID 3968174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).