2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide

C16H17IN2O — CID 62508809

IUPAC2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide
SMILESCCNc1ccc(C)cc1C(=O)Nc1ccccc1I
InChIInChI=1S/C16H17IN2O/c1-3-18-14-9-8-11(2)10-12(14)16(20)19-15-7-5-4-6-13(15)17/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyDTZQIQZFPGTWSC-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.28
Rot. Bonds4

About 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide

2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide (PubChem CID 62508809) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide
PubChem CID62508809
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide
SMILESCCNc1ccc(C)cc1C(=O)Nc1ccccc1I
InChIInChI=1S/C16H17IN2O/c1-3-18-14-9-8-11(2)10-12(14)16(20)19-15-7-5-4-6-13(15)17/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyDTZQIQZFPGTWSC-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(2-fluorophenyl)-5-methylbenzamide
CID 62511053
2-hydrazinyl-N-(2-iodophenyl)-5-methylbenzamide
CID 62512985
2-(ethylamino)-5-methyl-N-phenylbenzamide
CID 62509479
N-(2-iodophenyl)-2-methoxy-5-methylbenzamide
CID 34049921
2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646
2-chloro-N-(2-iodophenyl)-4-methylbenzamide
CID 106491010
N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
CID 107531156
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
5-methyl-2-(methylamino)-N-(2-propylphenyl)benzamide
CID 62509909
2-(ethylamino)-N-(4-fluoro-3-methylphenyl)-5-methylbenzamide
CID 62813653
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide?
The IUPAC name of 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide (CID 62508809) is 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide?
The canonical SMILES for 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide is CCNc1ccc(C)cc1C(=O)Nc1ccccc1I.
What is the InChIKey of 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide?
The InChIKey is DTZQIQZFPGTWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-3-18-14-9-8-11(2)10-12(14)16(20)19-15-7-5-4-6-13(15)17/h4-10,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide?
2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide has a molecular weight of 380.23 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide is sourced from PubChem (CID 62508809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).