2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H14ClFN2O2 — CID 103891624

IUPAC2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-21-13-5-3-2-4-10(13)6-7-18-15(20)12-8-11(17)9-19-14(12)16/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKeyYUIWZWBLFOQSSY-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.86
Rot. Bonds5

About 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 103891624) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID103891624
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-21-13-5-3-2-4-10(13)6-7-18-15(20)12-8-11(17)9-19-14(12)16/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKeyYUIWZWBLFOQSSY-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 103939963
N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179678
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 103891624) is 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccccc1CCNC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is YUIWZWBLFOQSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-21-13-5-3-2-4-10(13)6-7-18-15(20)12-8-11(17)9-19-14(12)16/h2-5,8-9H,6-7H2,1H3,(H,18,20).
What are the key properties of 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103891624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).