N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane

C23H23ClFN3O — CID 161034320

IUPACN-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane
SMILESC.[H]/N=C(\C)c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H19ClFN3O.CH4/c1-14(25)16-5-2-15(3-6-16)4-7-17-8-10-19(24)12-20(17)22(28)27-21-11-9-18(23)13-26-21;/h2-3,5-6,8-13,25H,4,7H2,1H3,(H,26,27,28);1H4/b25-14+;
InChIKeyUAAYJZGNAGIALJ-WJKHLOCDSA-N
MW411.91 g/mol
LogP5.94
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane

N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane (PubChem CID 161034320) has the molecular formula C23H23ClFN3O and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane
PubChem CID161034320
Molecular FormulaC23H23ClFN3O
Molecular Weight411.91 g/mol
Exact Mass411.15
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane
SMILESC.[H]/N=C(\C)c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H19ClFN3O.CH4/c1-14(25)16-5-2-15(3-6-16)4-7-17-8-10-19(24)12-20(17)22(28)27-21-11-9-18(23)13-26-21;/h2-3,5-6,8-13,25H,4,7H2,1H3,(H,26,27,28);1H4/b25-14+;
InChIKeyUAAYJZGNAGIALJ-WJKHLOCDSA-N
XLogP5.94
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.91
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 161013307
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CID 148756430
N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide
CID 59089759
N-(5-chloro-2-pyridinyl)-2-[2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 159635718
5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylbenzoyl)amino]-3-hydroxybenzamide
CID 59089683
N-(5-chloro-2-pyridinyl)-2,5-diethylbenzamide
CID 70908062
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-(methylamino)benzamide
CID 140603963
N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10183390
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane
CID 158946481
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N-ethyl-N-propylcarbamimidoyl)-2-fluorobenzamide;ethane
CID 142083292
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane (CID 161034320) is N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane is C.[H]/N=C(\C)c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane?
The InChIKey is UAAYJZGNAGIALJ-WJKHLOCDSA-N. The full InChI is InChI=1S/C22H19ClFN3O.CH4/c1-14(25)16-5-2-15(3-6-16)4-7-17-8-10-19(24)12-20(17)22(28)27-21-11-9-18(23)13-26-21;/h2-3,5-6,8-13,25H,4,7H2,1H3,(H,26,27,28);1H4/b25-14+;.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane?
N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane has a molecular weight of 411.91 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane is sourced from PubChem (CID 161034320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).