N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide

C15H13Cl2FN2O2 — CID 75496845

IUPACN-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1cncc(F)c1)N(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O2/c16-13-2-1-10(5-14(13)17)9-20(3-4-21)15(22)11-6-12(18)8-19-7-11/h1-2,5-8,21H,3-4,9H2
InChIKeyXFLSVVATOKJFAH-UHFFFAOYSA-N
MW343.19 g/mol
LogP3.16
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 75496845) has the molecular formula C15H13Cl2FN2O2 and a molecular weight of 343.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID75496845
Molecular FormulaC15H13Cl2FN2O2
Molecular Weight343.19 g/mol
Exact Mass342.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1cncc(F)c1)N(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O2/c16-13-2-1-10(5-14(13)17)9-20(3-4-21)15(22)11-6-12(18)8-19-7-11/h1-2,5-8,21H,3-4,9H2
InChIKeyXFLSVVATOKJFAH-UHFFFAOYSA-N
XLogP3.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 115769637
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide
CID 104785376
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387334
5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 70465007
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
CID 75470667
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63858873

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 75496845) is N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide is O=C(c1cncc(F)c1)N(CCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is XFLSVVATOKJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O2/c16-13-2-1-10(5-14(13)17)9-20(3-4-21)15(22)11-6-12(18)8-19-7-11/h1-2,5-8,21H,3-4,9H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 343.19 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 75496845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).