3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide

C15H12Cl2INO — CID 38886351

IUPAC3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)Nc1ccccc1I
InChIInChI=1S/C15H12Cl2INO/c16-11-5-3-4-10(15(11)17)8-9-14(20)19-13-7-2-1-6-12(13)18/h1-7H,8-9H2,(H,19,20)
InChIKeyLDORBQICFUJHSZ-UHFFFAOYSA-N
MW420.08 g/mol
LogP5.17
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide

3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide (PubChem CID 38886351) has the molecular formula C15H12Cl2INO and a molecular weight of 420.08 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
PubChem CID38886351
Molecular FormulaC15H12Cl2INO
Molecular Weight420.08 g/mol
Exact Mass418.93
IUPAC Name3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)Nc1ccccc1I
InChIInChI=1S/C15H12Cl2INO/c16-11-5-3-4-10(15(11)17)8-9-14(20)19-13-7-2-1-6-12(13)18/h1-7H,8-9H2,(H,19,20)
InChIKeyLDORBQICFUJHSZ-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.08
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
CID 38926559
N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 38911210
3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 38912265
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
3-(2,3-dichlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 60553304
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide (CID 38886351) is 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide is O=C(CCc1cccc(Cl)c1Cl)Nc1ccccc1I.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide?
The InChIKey is LDORBQICFUJHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2INO/c16-11-5-3-4-10(15(11)17)8-9-14(20)19-13-7-2-1-6-12(13)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide?
3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide has a molecular weight of 420.08 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide is sourced from PubChem (CID 38886351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).