N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide

C13H17ClF2N2O — CID 155435061

IUPACN-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide
SMILESCCCC[C@](C)(CCl)NC(=O)c1ncc(F)cc1F
InChIInChI=1S/C13H17ClF2N2O/c1-3-4-5-13(2,8-14)18-12(19)11-10(16)6-9(15)7-17-11/h6-7H,3-5,8H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyZBAOVVVTYODAHT-CYBMUJFWSA-N
MW290.74 g/mol
LogP3.28
Rot. Bonds6

About N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide

N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 155435061) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide
PubChem CID155435061
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC NameN-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide
SMILESCCCC[C@](C)(CCl)NC(=O)c1ncc(F)cc1F
InChIInChI=1S/C13H17ClF2N2O/c1-3-4-5-13(2,8-14)18-12(19)11-10(16)6-9(15)7-17-11/h6-7H,3-5,8H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyZBAOVVVTYODAHT-CYBMUJFWSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-methylpyridine-2-carboxamide
CID 58243777
3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 50956881
N-(1-chloro-2-methylbutan-2-yl)-2,3,4-trifluorobenzamide
CID 114303732
1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone
CID 58367441
5-bromo-3-fluoro-N-propylpyridine-2-carboxamide
CID 146027056
N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109195143
N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide
CID 91764713
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
CID 122585081
2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid
CID 130545054
3,5-difluoro-N-[2-(2-methylimidazol-1-yl)ethyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154884947
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111430082

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide (CID 155435061) is N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide is CCCC[C@](C)(CCl)NC(=O)c1ncc(F)cc1F.
What is the InChIKey of N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is ZBAOVVVTYODAHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17ClF2N2O/c1-3-4-5-13(2,8-14)18-12(19)11-10(16)6-9(15)7-17-11/h6-7H,3-5,8H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide?
N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 290.74 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-chloro-2-methylhexan-2-yl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 155435061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).