N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide

C14H12BrClN2O2 — CID 5346053

IUPACN-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyQCMMXVSNRVRYCW-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.15
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide

N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide (PubChem CID 5346053) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
PubChem CID5346053
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyQCMMXVSNRVRYCW-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17342266
N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 60522037
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-3-chloro-4-ethoxybenzamide
CID 17104901
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
3-chloro-N-(5-chloro-2-pyridinyl)-5-ethoxy-4-propoxybenzamide
CID 34135714
N-[(4-bromo-2-methylphenyl)carbamothioyl]-3-chloro-4-ethoxybenzamide
CID 1016921

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide (CID 5346053) is N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1Cl.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide?
The InChIKey is QCMMXVSNRVRYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide?
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide has a molecular weight of 355.62 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide is sourced from PubChem (CID 5346053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).