N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide

C20H17ClFN3O — CID 113019042

IUPACN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3ccccc3F)cn2)c(Cl)c1
InChIInChI=1S/C20H17ClFN3O/c1-12-9-13(2)19(16(21)10-12)25-18-8-7-14(11-23-18)24-20(26)15-5-3-4-6-17(15)22/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyPBPVBKPXWBLBRJ-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.49
Rot. Bonds4

About N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide

N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 113019042) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
PubChem CID113019042
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3ccccc3F)cn2)c(Cl)c1
InChIInChI=1S/C20H17ClFN3O/c1-12-9-13(2)19(16(21)10-12)25-18-8-7-14(11-23-18)24-20(26)15-5-3-4-6-17(15)22/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyPBPVBKPXWBLBRJ-UHFFFAOYSA-N
XLogP5.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019057
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113019049
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide (CID 113019042) is N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide is Cc1cc(C)c(Nc2ccc(NC(=O)c3ccccc3F)cn2)c(Cl)c1.
What is the InChIKey of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is PBPVBKPXWBLBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-12-9-13(2)19(16(21)10-12)25-18-8-7-14(11-23-18)24-20(26)15-5-3-4-6-17(15)22/h3-11H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 369.83 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113019042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).