N-(3-ethylphenyl)-3-iodobenzamide

C15H14INO — CID 2591482

IUPACN-(3-ethylphenyl)-3-iodobenzamide
SMILESCCc1cccc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H14INO/c1-2-11-5-3-8-14(9-11)17-15(18)12-6-4-7-13(16)10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyAHJZDNKUCOTFGO-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.11
Rot. Bonds3

About N-(3-ethylphenyl)-3-iodobenzamide

N-(3-ethylphenyl)-3-iodobenzamide (PubChem CID 2591482) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-iodobenzamide
PubChem CID2591482
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC NameN-(3-ethylphenyl)-3-iodobenzamide
SMILESCCc1cccc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H14INO/c1-2-11-5-3-8-14(9-11)17-15(18)12-6-4-7-13(16)10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyAHJZDNKUCOTFGO-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 65346308
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-(3-ethylphenyl)-3-phenoxybenzamide
CID 7935232
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-iodobenzamide?
The IUPAC name of N-(3-ethylphenyl)-3-iodobenzamide (CID 2591482) is N-(3-ethylphenyl)-3-iodobenzamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-iodobenzamide?
The canonical SMILES for N-(3-ethylphenyl)-3-iodobenzamide is CCc1cccc(NC(=O)c2cccc(I)c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-iodobenzamide?
The InChIKey is AHJZDNKUCOTFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c1-2-11-5-3-8-14(9-11)17-15(18)12-6-4-7-13(16)10-12/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of N-(3-ethylphenyl)-3-iodobenzamide?
N-(3-ethylphenyl)-3-iodobenzamide has a molecular weight of 351.19 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-iodobenzamide is sourced from PubChem (CID 2591482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).