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

C25H21ClFN3O2 — CID 159828628

IUPACN-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C25H21ClFN3O2/c1-30-13-12-28-24(30)17-6-11-21(22(27)14-17)23(31)15-16-4-2-3-5-20(16)25(32)29-19-9-7-18(26)8-10-19/h2-11,14H,12-13,15H2,1H3,(H,29,32)
InChIKeyOKRXTPCSUKXNAH-UHFFFAOYSA-N
MW449.91 g/mol
LogP4.85
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 159828628) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID159828628
Molecular FormulaC25H21ClFN3O2
Molecular Weight449.91 g/mol
Exact Mass449.13
IUPAC NameN-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C25H21ClFN3O2/c1-30-13-12-28-24(30)17-6-11-21(22(27)14-17)23(31)15-16-4-2-3-5-20(16)25(32)29-19-9-7-18(26)8-10-19/h2-11,14H,12-13,15H2,1H3,(H,29,32)
InChIKeyOKRXTPCSUKXNAH-UHFFFAOYSA-N
XLogP4.85
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.91
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;methane
CID 161494192
N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[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;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;methane
CID 158461578
N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18727930
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 148805295
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 18727958
4-(aziridine-1-carboximidoyl)-N-[2-[(4-chlorophenyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(4-chlorophenyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(4-chlorophenyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 158509386
N-(4-chlorophenyl)-5-methoxy-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18728030
2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 54601421
(3S)-3-[(4-chlorophenyl)carbamoylamino]-4-[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 11539529
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(4-chlorophenyl)benzamide;methane
CID 158382670
2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide
CID 68693079

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (CID 159828628) is N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-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)cc2)c(F)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is OKRXTPCSUKXNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c1-30-13-12-28-24(30)17-6-11-21(22(27)14-17)23(31)15-16-4-2-3-5-20(16)25(32)29-19-9-7-18(26)8-10-19/h2-11,14H,12-13,15H2,1H3,(H,29,32).
What are the key properties of N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 449.91 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 159828628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).