N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide

C16H16INO2 — CID 104627675

IUPACN-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(I)c(O)c1)c1ccc(C)cc1
InChIInChI=1S/C16H16INO2/c1-3-18(13-7-4-11(2)5-8-13)16(20)12-6-9-14(17)15(19)10-12/h4-10,19H,3H2,1-2H3
InChIKeyDHSCMXNQGAVGKH-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.97
Rot. Bonds3

About N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide

N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide (PubChem CID 104627675) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
PubChem CID104627675
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC NameN-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(I)c(O)c1)c1ccc(C)cc1
InChIInChI=1S/C16H16INO2/c1-3-18(13-7-4-11(2)5-8-13)16(20)12-6-9-14(17)15(19)10-12/h4-10,19H,3H2,1-2H3
InChIKeyDHSCMXNQGAVGKH-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.97
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-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627922
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
CID 103957153
4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 63185035
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
N-ethyl-3-hydroxy-4-iodo-N-prop-2-ynylbenzamide
CID 104627858
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
CID 104632622
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104627629
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide?
The IUPAC name of N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide (CID 104627675) is N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide is CCN(C(=O)c1ccc(I)c(O)c1)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide?
The InChIKey is DHSCMXNQGAVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-3-18(13-7-4-11(2)5-8-13)16(20)12-6-9-14(17)15(19)10-12/h4-10,19H,3H2,1-2H3.
What are the key properties of N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide?
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide has a molecular weight of 381.21 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 104627675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).