N-(1-ethoxypropan-2-yl)-4-iodobenzamide

C12H16INO2 — CID 47903616

IUPACN-(1-ethoxypropan-2-yl)-4-iodobenzamide
SMILESCCOCC(C)NC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H16INO2/c1-3-16-8-9(2)14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyLSHWIVQGJPIGRF-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.45
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-4-iodobenzamide

N-(1-ethoxypropan-2-yl)-4-iodobenzamide (PubChem CID 47903616) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-4-iodobenzamide
PubChem CID47903616
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-(1-ethoxypropan-2-yl)-4-iodobenzamide
SMILESCCOCC(C)NC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H16INO2/c1-3-16-8-9(2)14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyLSHWIVQGJPIGRF-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.45
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-(1-ethoxypropan-2-yl)benzamide
CID 47903637
3-[(4-iodobenzoyl)amino]butanoic acid
CID 43240598
N-(1-ethoxypropan-2-yl)-2-iodobenzamide
CID 47903574
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
CID 63977834
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
CID 81448376
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582
2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398326
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
2-(1-ethoxypropan-2-ylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429008

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-4-iodobenzamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-4-iodobenzamide (CID 47903616) is N-(1-ethoxypropan-2-yl)-4-iodobenzamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-4-iodobenzamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-4-iodobenzamide is CCOCC(C)NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-4-iodobenzamide?
The InChIKey is LSHWIVQGJPIGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-3-16-8-9(2)14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-ethoxypropan-2-yl)-4-iodobenzamide?
N-(1-ethoxypropan-2-yl)-4-iodobenzamide has a molecular weight of 333.17 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 47903616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).