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

C20H16ClF2N3O — CID 113019057

IUPACN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)c(Cl)c1
InChIInChI=1S/C20H16ClF2N3O/c1-11-7-12(2)19(15(21)8-11)26-18-6-4-14(10-24-18)25-20(27)13-3-5-16(22)17(23)9-13/h3-10H,1-2H3,(H,24,26)(H,25,27)
InChIKeyHAPARPTTZFSZCO-UHFFFAOYSA-N
MW387.82 g/mol
LogP5.63
Rot. Bonds4

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

N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide (PubChem CID 113019057) has the molecular formula C20H16ClF2N3O and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
PubChem CID113019057
Molecular FormulaC20H16ClF2N3O
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC NameN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)c(Cl)c1
InChIInChI=1S/C20H16ClF2N3O/c1-11-7-12(2)19(15(21)8-11)26-18-6-4-14(10-24-18)25-20(27)13-3-5-16(22)17(23)9-13/h3-10H,1-2H3,(H,24,26)(H,25,27)
InChIKeyHAPARPTTZFSZCO-UHFFFAOYSA-N
XLogP5.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.82
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113019049
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
CID 113022321
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide (CID 113019057) is N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide is Cc1cc(C)c(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)c(Cl)c1.
What is the InChIKey of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The InChIKey is HAPARPTTZFSZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O/c1-11-7-12(2)19(15(21)8-11)26-18-6-4-14(10-24-18)25-20(27)13-3-5-16(22)17(23)9-13/h3-10H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide?
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide has a molecular weight of 387.82 g/mol, XLogP of 5.63, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 113019057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).