N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide

C13H10ClIN2O — CID 103943532

IUPACN-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ncccc2Cl)c1I
InChIInChI=1S/C13H10ClIN2O/c1-8-4-2-5-9(11(8)15)13(18)17-12-10(14)6-3-7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyBTOIOLNVSOOLML-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.90
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide

N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide (PubChem CID 103943532) has the molecular formula C13H10ClIN2O and a molecular weight of 372.59 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
PubChem CID103943532
Molecular FormulaC13H10ClIN2O
Molecular Weight372.59 g/mol
Exact Mass371.95
IUPAC NameN-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ncccc2Cl)c1I
InChIInChI=1S/C13H10ClIN2O/c1-8-4-2-5-9(11(8)15)13(18)17-12-10(14)6-3-7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyBTOIOLNVSOOLML-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 53.90
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-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide
CID 114029858
2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide
CID 103093876
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
N-(3-chloro-2-pyridinyl)-2-(ethylamino)benzamide
CID 103094805
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 23633001
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide (CID 103943532) is N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)Nc2ncccc2Cl)c1I.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide?
The InChIKey is BTOIOLNVSOOLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O/c1-8-4-2-5-9(11(8)15)13(18)17-12-10(14)6-3-7-16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide?
N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide has a molecular weight of 372.59 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103943532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).