N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide

C14H11ClF2N2O2 — CID 86800518

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NC(CO)c1ccc(Cl)c(F)c1)c1ccncc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-10-2-1-8(5-11(10)16)13(7-20)19-14(21)9-3-4-18-6-12(9)17/h1-6,13,20H,7H2,(H,19,21)
InChIKeySYGBUPOMYBJXGL-UHFFFAOYSA-N
MW312.70 g/mol
LogP2.48
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide

N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide (PubChem CID 86800518) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
PubChem CID86800518
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NC(CO)c1ccc(Cl)c(F)c1)c1ccncc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-10-2-1-8(5-11(10)16)13(7-20)19-14(21)9-3-4-18-6-12(9)17/h1-6,13,20H,7H2,(H,19,21)
InChIKeySYGBUPOMYBJXGL-UHFFFAOYSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97259860
(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80751208
(3R)-3-(4-chloro-3-fluorophenyl)-3-(pyridine-3-carbonylamino)propanoic acid
CID 97259466
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methoxymethyl)thiophene-2-carboxamide
CID 110009871
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 97260195
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide (CID 86800518) is N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide is O=C(NC(CO)c1ccc(Cl)c(F)c1)c1ccncc1F.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is SYGBUPOMYBJXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-10-2-1-8(5-11(10)16)13(7-20)19-14(21)9-3-4-18-6-12(9)17/h1-6,13,20H,7H2,(H,19,21).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide?
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 312.70 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 86800518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).