N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

C20H15ClFN3O2 — CID 108925692

IUPACN-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1)c1cccnc1
InChIInChI=1S/C20H15ClFN3O2/c21-16-4-1-5-17(22)18(16)20(27)25-15-8-6-13(7-9-15)11-24-19(26)14-3-2-10-23-12-14/h1-10,12H,11H2,(H,24,26)(H,25,27)
InChIKeyCJAOLCAKTOWAIY-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.06
Rot. Bonds5

About N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925692) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925692
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC NameN-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1)c1cccnc1
InChIInChI=1S/C20H15ClFN3O2/c21-16-4-1-5-17(22)18(16)20(27)25-15-8-6-13(7-9-15)11-24-19(26)14-3-2-10-23-12-14/h1-10,12H,11H2,(H,24,26)(H,25,27)
InChIKeyCJAOLCAKTOWAIY-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925742
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 167869744
N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-N-(3-chloro-4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047685

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108925692) is N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1)c1cccnc1.
What is the InChIKey of N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is CJAOLCAKTOWAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-16-4-1-5-17(22)18(16)20(27)25-15-8-6-13(7-9-15)11-24-19(26)14-3-2-10-23-12-14/h1-10,12H,11H2,(H,24,26)(H,25,27).
What are the key properties of N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).