N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide

C24H20ClFN4O2 — CID 59585476

IUPACN-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C24H20ClFN4O2/c1-30-11-10-27-23(30)16-6-8-19(20(26)12-16)21(31)13-15-4-2-3-5-18(15)24(32)29-22-9-7-17(25)14-28-22/h2-9,12,14H,10-11,13H2,1H3,(H,28,29,32)
InChIKeyNYZQDVSRKIOFHH-UHFFFAOYSA-N
MW450.90 g/mol
LogP4.24
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide

N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 59585476) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID59585476
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C24H20ClFN4O2/c1-30-11-10-27-23(30)16-6-8-19(20(26)12-16)21(31)13-15-4-2-3-5-18(15)24(32)29-22-9-7-17(25)14-28-22/h2-9,12,14H,10-11,13H2,1H3,(H,28,29,32)
InChIKeyNYZQDVSRKIOFHH-UHFFFAOYSA-N
XLogP4.24
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)-benzamido)benzamide
CID 10137016
N-(4-chloro-2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10205659
5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[methyl-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-amino]-methyl}-benzoylamino)-benzamide
CID 18727836
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methylbenzamide
CID 18728123
3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide
CID 138544107
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide
CID 10075735
N-[(2R)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 10347471
2-[[4-[2-[(1-aminoethylideneamino)methyl]phenyl]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 44385552
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-((2-iminoimidazolidin-1-yl)methyl)benzamido)benzamide
CID 44385679
N-[(2S)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 44393407
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-ethylbenzamide
CID 44565624
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide
CID 52941698

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (CID 59585476) is N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is CN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is NYZQDVSRKIOFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c1-30-11-10-27-23(30)16-6-8-19(20(26)12-16)21(31)13-15-4-2-3-5-18(15)24(32)29-22-9-7-17(25)14-28-22/h2-9,12,14H,10-11,13H2,1H3,(H,28,29,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 450.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 59585476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).