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

C12H8BrClN2O — CID 3011459

IUPAC3-bromo-N-(4-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrClN2O/c13-9-3-1-2-8(6-9)12(17)16-11-7-10(14)4-5-15-11/h1-7H,(H,15,16,17)
InChIKeyRDXUUUDVMQPOCW-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.75
Rot. Bonds2

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

3-bromo-N-(4-chloro-2-pyridinyl)benzamide (PubChem CID 3011459) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2-pyridinyl)benzamide
PubChem CID3011459
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name3-bromo-N-(4-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrClN2O/c13-9-3-1-2-8(6-9)12(17)16-11-7-10(14)4-5-15-11/h1-7H,(H,15,16,17)
InChIKeyRDXUUUDVMQPOCW-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
PETT deriv. 15
CID 492704
3-(5-Bromopyridin-2-yl)-1-(3-oxo-3-phenylpropyl)thiourea
CID 3003668
PETT deriv. 13
CID 3003670
3-bromo-N-(6-methylpyridin-2-yl)benzamide
CID 603306
N-(5-Bromo-2-pyridinyl)-1-naphthamide
CID 593268
2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
(E)-1-(4-bromophenyl)-3-[(4-methylpyridin-2-yl)amino]prop-2-en-1-one
CID 1927167
2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2-pyridinyl)benzamide?
The IUPAC name of 3-bromo-N-(4-chloro-2-pyridinyl)benzamide (CID 3011459) is 3-bromo-N-(4-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2-pyridinyl)benzamide is O=C(Nc1cc(Cl)ccn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-chloro-2-pyridinyl)benzamide?
The InChIKey is RDXUUUDVMQPOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-9-3-1-2-8(6-9)12(17)16-11-7-10(14)4-5-15-11/h1-7H,(H,15,16,17).
What are the key properties of 3-bromo-N-(4-chloro-2-pyridinyl)benzamide?
3-bromo-N-(4-chloro-2-pyridinyl)benzamide has a molecular weight of 311.57 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 3011459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).