3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide

C21H17ClF2N2O — CID 171634904

IUPAC3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide
SMILESCc1c(Cc2ccnc(Cl)c2)cccc1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C21H17ClF2N2O/c1-13-16(7-14-5-6-25-20(22)10-14)3-2-4-19(13)21(27)26-12-15-8-17(23)11-18(24)9-15/h2-6,8-11H,7,12H2,1H3,(H,26,27)
InChIKeyMHXKEDQLJUTPRB-UHFFFAOYSA-N
MW386.83 g/mol
LogP4.84
Rot. Bonds5

About 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide

3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide (PubChem CID 171634904) has the molecular formula C21H17ClF2N2O and a molecular weight of 386.83 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide
PubChem CID171634904
Molecular FormulaC21H17ClF2N2O
Molecular Weight386.83 g/mol
Exact Mass386.10
IUPAC Name3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide
SMILESCc1c(Cc2ccnc(Cl)c2)cccc1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C21H17ClF2N2O/c1-13-16(7-14-5-6-25-20(22)10-14)3-2-4-19(13)21(27)26-12-15-8-17(23)11-18(24)9-15/h2-6,8-11H,7,12H2,1H3,(H,26,27)
InChIKeyMHXKEDQLJUTPRB-UHFFFAOYSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
acetaldehyde;ethane;3-[[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-pyridinyl]methyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 171634986
N-[(3,5-difluorophenyl)methyl]-3-[[2-(6-fluoro-3-pyridinyl)-4-pyridinyl]oxy]-2-methylbenzamide
CID 171634914
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(3-methylanilino)-4-pyridinyl]oxy]benzamide
CID 171635380
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206
2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 109399591
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide
CID 171635621

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide (CID 171634904) is 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide is Cc1c(Cc2ccnc(Cl)c2)cccc1C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide?
The InChIKey is MHXKEDQLJUTPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O/c1-13-16(7-14-5-6-25-20(22)10-14)3-2-4-19(13)21(27)26-12-15-8-17(23)11-18(24)9-15/h2-6,8-11H,7,12H2,1H3,(H,26,27).
What are the key properties of 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide?
3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide has a molecular weight of 386.83 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 171634904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).