N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide

C16H13IN2O2 — CID 103520576

IUPACN-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide
SMILESN#CCCN(C(=O)c1cc(I)ccc1O)c1ccccc1
InChIInChI=1S/C16H13IN2O2/c17-12-7-8-15(20)14(11-12)16(21)19(10-4-9-18)13-5-2-1-3-6-13/h1-3,5-8,11,20H,4,10H2
InChIKeyFMIIQJLHSOAYER-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.56
Rot. Bonds4

About N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide

N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide (PubChem CID 103520576) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide
PubChem CID103520576
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC NameN-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide
SMILESN#CCCN(C(=O)c1cc(I)ccc1O)c1ccccc1
InChIInChI=1S/C16H13IN2O2/c17-12-7-8-15(20)14(11-12)16(21)19(10-4-9-18)13-5-2-1-3-6-13/h1-3,5-8,11,20H,4,10H2
InChIKeyFMIIQJLHSOAYER-UHFFFAOYSA-N
XLogP3.56
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 103873674
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 62830086
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
CID 24702771
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide (CID 103520576) is N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide is N#CCCN(C(=O)c1cc(I)ccc1O)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide?
The InChIKey is FMIIQJLHSOAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c17-12-7-8-15(20)14(11-12)16(21)19(10-4-9-18)13-5-2-1-3-6-13/h1-3,5-8,11,20H,4,10H2.
What are the key properties of N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide?
N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide has a molecular weight of 392.20 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide is sourced from PubChem (CID 103520576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).