2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide

C19H12ClFN4O — CID 113022787

IUPAC2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)c1
InChIInChI=1S/C19H12ClFN4O/c20-15-5-2-6-16(21)18(15)19(26)25-14-7-8-17(23-11-14)24-13-4-1-3-12(9-13)10-22/h1-9,11H,(H,23,24)(H,25,26)
InChIKeyGHRQXKBHQRKFMN-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.74
Rot. Bonds4

About 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide

2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide (PubChem CID 113022787) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
PubChem CID113022787
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)c1
InChIInChI=1S/C19H12ClFN4O/c20-15-5-2-6-16(21)18(15)19(26)25-14-7-8-17(23-11-14)24-13-4-1-3-12(9-13)10-22/h1-9,11H,(H,23,24)(H,25,26)
InChIKeyGHRQXKBHQRKFMN-UHFFFAOYSA-N
XLogP4.74
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893
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
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide (CID 113022787) is 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide is N#Cc1cccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)c1.
What is the InChIKey of 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide?
The InChIKey is GHRQXKBHQRKFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-15-5-2-6-16(21)18(15)19(26)25-14-7-8-17(23-11-14)24-13-4-1-3-12(9-13)10-22/h1-9,11H,(H,23,24)(H,25,26).
What are the key properties of 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide?
2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide has a molecular weight of 366.78 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide is sourced from PubChem (CID 113022787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).