4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

C13H17IN2O2 — CID 47097429

IUPAC4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C13H17IN2O2/c1-3-8-15-12(17)9-16(2)13(18)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyCISYPZKYBSSWAU-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.89
Rot. Bonds5

About 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 47097429) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID47097429
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC Name4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C13H17IN2O2/c1-3-8-15-12(17)9-16(2)13(18)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyCISYPZKYBSSWAU-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.89
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-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
3-hydroxy-4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104627430
N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7780191
4-iodo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31749087
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
4-(1,3-dithiolan-2-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972240
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 47097429) is 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CN(C)C(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is CISYPZKYBSSWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2/c1-3-8-15-12(17)9-16(2)13(18)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 360.20 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 47097429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).