3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide

C12H7BrCl2N2O — CID 113330232

IUPAC3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-9-5-7(1-2-10(9)15)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18)
InChIKeyFTFJIRXMMCYFAP-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide

3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide (PubChem CID 113330232) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
PubChem CID113330232
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC Name3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-9-5-7(1-2-10(9)15)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18)
InChIKeyFTFJIRXMMCYFAP-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.01
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
4-bromo-N-(4-chloro-2-pyridinyl)-3-hydroxybenzamide
CID 103830593
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide (CID 113330232) is 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide is O=C(Nc1cc(Cl)ccn1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide?
The InChIKey is FTFJIRXMMCYFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-9-5-7(1-2-10(9)15)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18).
What are the key properties of 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide?
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide has a molecular weight of 346.01 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 113330232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).