N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide

C16H15ClINO2 — CID 24511812

IUPACN-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
SMILESCC(Oc1ccc(I)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H15ClINO2/c1-11(21-14-8-6-13(18)7-9-14)16(20)19-10-12-4-2-3-5-15(12)17/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyFXEKHNCHMOHICY-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.03
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide

N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide (PubChem CID 24511812) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
PubChem CID24511812
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
SMILESCC(Oc1ccc(I)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H15ClINO2/c1-11(21-14-8-6-13(18)7-9-14)16(20)19-10-12-4-2-3-5-15(12)17/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyFXEKHNCHMOHICY-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-phenylphenoxy)propanamide
CID 17194172
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-iodobenzoate
CID 55417735
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
(2R)-N-[(2-chlorophenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100656988
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851774
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide (CID 24511812) is N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide is CC(Oc1ccc(I)cc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide?
The InChIKey is FXEKHNCHMOHICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-11(21-14-8-6-13(18)7-9-14)16(20)19-10-12-4-2-3-5-15(12)17/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide?
N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide has a molecular weight of 415.66 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide is sourced from PubChem (CID 24511812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).