N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide

C15H14ClFN2O2 — CID 124607627

IUPACN-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide
SMILESCO[C@H](CNC(=O)c1ccncc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-21-14(10-3-2-4-11(16)7-10)9-19-15(20)12-5-6-18-8-13(12)17/h2-8,14H,9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyLWAOGNAVHPXNGW-CQSZACIVSA-N
MW308.74 g/mol
LogP2.99
Rot. Bonds5

About N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide

N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide (PubChem CID 124607627) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide
PubChem CID124607627
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide
SMILESCO[C@H](CNC(=O)c1ccncc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-21-14(10-3-2-4-11(16)7-10)9-19-15(20)12-5-6-18-8-13(12)17/h2-8,14H,9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyLWAOGNAVHPXNGW-CQSZACIVSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-hydroxypyridine-4-carboxamide
CID 97320910
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 103492743
5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90622984
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568623
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide (CID 124607627) is N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide is CO[C@H](CNC(=O)c1ccncc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is LWAOGNAVHPXNGW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-21-14(10-3-2-4-11(16)7-10)9-19-15(20)12-5-6-18-8-13(12)17/h2-8,14H,9H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide?
N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 124607627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).