4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride

C14H20ClIN2O2 — CID 120828900

IUPAC4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCC(=O)c1ccc(I)cc1.Cl
InChIInChI=1S/C14H19IN2O2.ClH/c1-10(16-2)9-17-14(19)8-7-13(18)11-3-5-12(15)6-4-11;/h3-6,10,16H,7-9H2,1-2H3,(H,17,19);1H
InChIKeyABZOSGYRALTXPK-UHFFFAOYSA-N
MW410.68 g/mol
LogP2.40
Rot. Bonds7

About 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride

4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride (PubChem CID 120828900) has the molecular formula C14H20ClIN2O2 and a molecular weight of 410.68 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
PubChem CID120828900
Molecular FormulaC14H20ClIN2O2
Molecular Weight410.68 g/mol
Exact Mass410.03
IUPAC Name4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCC(=O)c1ccc(I)cc1.Cl
InChIInChI=1S/C14H19IN2O2.ClH/c1-10(16-2)9-17-14(19)8-7-13(18)11-3-5-12(15)6-4-11;/h3-6,10,16H,7-9H2,1-2H3,(H,17,19);1H
InChIKeyABZOSGYRALTXPK-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.68
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
CID 9104803
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
CID 120830379
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
CID 119997393
3-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 120687518
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
CID 120832661
4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide
CID 120651525
3-(3,4-dimethylphenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120832196
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride (CID 120828900) is 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride is CNC(C)CNC(=O)CCC(=O)c1ccc(I)cc1.Cl.
What is the InChIKey of 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The InChIKey is ABZOSGYRALTXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2.ClH/c1-10(16-2)9-17-14(19)8-7-13(18)11-3-5-12(15)6-4-11;/h3-6,10,16H,7-9H2,1-2H3,(H,17,19);1H.
What are the key properties of 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride has a molecular weight of 410.68 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120828900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).