2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide

C20H17ClFN3O — CID 113011893

IUPAC2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2c(F)cccc2Cl)cn1)c1ccccc1
InChIInChI=1S/C20H17ClFN3O/c1-13(14-6-3-2-4-7-14)24-18-11-10-15(12-23-18)25-20(26)19-16(21)8-5-9-17(19)22/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyYOAYELVNOKNAKM-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.30
Rot. Bonds5

About 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide

2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide (PubChem CID 113011893) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
PubChem CID113011893
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2c(F)cccc2Cl)cn1)c1ccccc1
InChIInChI=1S/C20H17ClFN3O/c1-13(14-6-3-2-4-7-14)24-18-11-10-15(12-23-18)25-20(26)19-16(21)8-5-9-17(19)22/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyYOAYELVNOKNAKM-UHFFFAOYSA-N
XLogP5.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793
2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791
2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013311
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
CID 113022787
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide (CID 113011893) is 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide is CC(Nc1ccc(NC(=O)c2c(F)cccc2Cl)cn1)c1ccccc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide?
The InChIKey is YOAYELVNOKNAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13(14-6-3-2-4-7-14)24-18-11-10-15(12-23-18)25-20(26)19-16(21)8-5-9-17(19)22/h2-13H,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide?
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide has a molecular weight of 369.83 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113011893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).