N-(2-chloropyrimidin-4-yl)-2-iodobenzamide

C11H7ClIN3O — CID 116795168

IUPACN-(2-chloropyrimidin-4-yl)-2-iodobenzamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccccc1I
InChIInChI=1S/C11H7ClIN3O/c12-11-14-6-5-9(16-11)15-10(17)7-3-1-2-4-8(7)13/h1-6H,(H,14,15,16,17)
InChIKeyYPQCQTADANWOPF-UHFFFAOYSA-N
MW359.55 g/mol
LogP2.99
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-2-iodobenzamide

N-(2-chloropyrimidin-4-yl)-2-iodobenzamide (PubChem CID 116795168) has the molecular formula C11H7ClIN3O and a molecular weight of 359.55 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2-iodobenzamide
PubChem CID116795168
Molecular FormulaC11H7ClIN3O
Molecular Weight359.55 g/mol
Exact Mass358.93
IUPAC NameN-(2-chloropyrimidin-4-yl)-2-iodobenzamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccccc1I
InChIInChI=1S/C11H7ClIN3O/c12-11-14-6-5-9(16-11)15-10(17)7-3-1-2-4-8(7)13/h1-6H,(H,14,15,16,17)
InChIKeyYPQCQTADANWOPF-UHFFFAOYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 52.99
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-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
N-(2-chloropyrimidin-4-yl)-2-iodo-5-nitrobenzamide
CID 116794901
2-[(2-iodobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 30335086
2-[(2-chloropyrimidin-4-yl)carbamoyl]-4,5-difluorobenzoic acid
CID 116794791
N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
CID 65488908
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590
N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide
CID 116795150
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2-iodobenzamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2-iodobenzamide (CID 116795168) is N-(2-chloropyrimidin-4-yl)-2-iodobenzamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2-iodobenzamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2-iodobenzamide is O=C(Nc1ccnc(Cl)n1)c1ccccc1I.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2-iodobenzamide?
The InChIKey is YPQCQTADANWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClIN3O/c12-11-14-6-5-9(16-11)15-10(17)7-3-1-2-4-8(7)13/h1-6H,(H,14,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2-iodobenzamide?
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide has a molecular weight of 359.55 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2-iodobenzamide is sourced from PubChem (CID 116795168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).