N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide

C16H16INO2 — CID 7688847

IUPACN-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(I)c2)cc1
InChIInChI=1S/C16H16INO2/c1-20-15-8-5-12(6-9-15)7-10-16(19)18-14-4-2-3-13(17)11-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)
InChIKeyMXAYBZONQPAXPV-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.87
Rot. Bonds5

About N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide

N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 7688847) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID7688847
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC NameN-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(I)c2)cc1
InChIInChI=1S/C16H16INO2/c1-20-15-8-5-12(6-9-15)7-10-16(19)18-14-4-2-3-13(17)11-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)
InChIKeyMXAYBZONQPAXPV-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.87
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-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
[2-(3-iodoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 23796368
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
CID 110732503

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide (CID 7688847) is N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cccc(I)c2)cc1.
What is the InChIKey of N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is MXAYBZONQPAXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-20-15-8-5-12(6-9-15)7-10-16(19)18-14-4-2-3-13(17)11-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,19).
What are the key properties of N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide?
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 381.21 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7688847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).