N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide

C13H9BrF2N2O — CID 112696541

IUPACN-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2ncccc2Br)c(F)cc1F
InChIInChI=1S/C13H9BrF2N2O/c1-7-5-8(11(16)6-10(7)15)13(19)18-12-9(14)3-2-4-17-12/h2-6H,1H3,(H,17,18,19)
InChIKeyRMAFCLAZZWQTTF-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.68
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide

N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide (PubChem CID 112696541) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide
PubChem CID112696541
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2ncccc2Br)c(F)cc1F
InChIInChI=1S/C13H9BrF2N2O/c1-7-5-8(11(16)6-10(7)15)13(19)18-12-9(14)3-2-4-17-12/h2-6H,1H3,(H,17,18,19)
InChIKeyRMAFCLAZZWQTTF-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide
CID 61094910
N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
CID 79214209
N-(3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 104929862
N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335259
N-(2-bromo-4-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 115703975
4-amino-N-(3-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 81245467
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685084
N-(2-bromo-3-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 103480092
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide (CID 112696541) is N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide is Cc1cc(C(=O)Nc2ncccc2Br)c(F)cc1F.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide?
The InChIKey is RMAFCLAZZWQTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c1-7-5-8(11(16)6-10(7)15)13(19)18-12-9(14)3-2-4-17-12/h2-6H,1H3,(H,17,18,19).
What are the key properties of N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide?
N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide has a molecular weight of 327.13 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 112696541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).