N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide

C20H13Cl2F3N2O — CID 168853794

IUPACN-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cc(F)c(F)c(F)c1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2F3N2O/c21-15-4-3-13(16(22)8-15)11-27(10-12-2-1-5-26-9-12)20(28)14-6-17(23)19(25)18(24)7-14/h1-9H,10-11H2
InChIKeyYPRVSTOCEAZIPE-UHFFFAOYSA-N
MW425.24 g/mol
LogP5.65
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide

N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853794) has the molecular formula C20H13Cl2F3N2O and a molecular weight of 425.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853794
Molecular FormulaC20H13Cl2F3N2O
Molecular Weight425.24 g/mol
Exact Mass424.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cc(F)c(F)c(F)c1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2F3N2O/c21-15-4-3-13(16(22)8-15)11-27(10-12-2-1-5-26-9-12)20(28)14-6-17(23)19(25)18(24)7-14/h1-9H,10-11H2
InChIKeyYPRVSTOCEAZIPE-UHFFFAOYSA-N
XLogP5.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.24
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 168853809
3-bromo-N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853687
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
CID 168853730
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 168853785
N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853803
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 168853786
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
CID 692924

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide (CID 168853794) is N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide is O=C(c1cc(F)c(F)c(F)c1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is YPRVSTOCEAZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O/c21-15-4-3-13(16(22)8-15)11-27(10-12-2-1-5-26-9-12)20(28)14-6-17(23)19(25)18(24)7-14/h1-9H,10-11H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide?
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 425.24 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).