3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide

C15H14BrClN2O2 — CID 43054897

IUPAC3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Cl)cn2)cc1Br
InChIInChI=1S/C15H14BrClN2O2/c1-21-13-5-2-10(8-12(13)16)3-7-15(20)19-14-6-4-11(17)9-18-14/h2,4-6,8-9H,3,7H2,1H3,(H,18,19,20)
InChIKeyBDRVLCCVOGVMDQ-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.08
Rot. Bonds5

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

3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide (PubChem CID 43054897) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide
PubChem CID43054897
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Cl)cn2)cc1Br
InChIInChI=1S/C15H14BrClN2O2/c1-21-13-5-2-10(8-12(13)16)3-7-15(20)19-14-6-4-11(17)9-18-14/h2,4-6,8-9H,3,7H2,1H3,(H,18,19,20)
InChIKeyBDRVLCCVOGVMDQ-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
3-(3-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 55027759
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide
CID 55585425
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate
CID 8876112
3-(3-bromo-4-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315523
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-4-chloro-N,N-dimethylbenzamide
CID 38955785
3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 86843450
3-(3,4-dimethoxyphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)propanamide
CID 32946707
3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide
CID 113031455
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide (CID 43054897) is 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(Cl)cn2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide?
The InChIKey is BDRVLCCVOGVMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-21-13-5-2-10(8-12(13)16)3-7-15(20)19-14-6-4-11(17)9-18-14/h2,4-6,8-9H,3,7H2,1H3,(H,18,19,20).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide?
3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide has a molecular weight of 369.65 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide is sourced from PubChem (CID 43054897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).