N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

C22H14ClFN2O3 — CID 9146369

IUPACN-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H14ClFN2O3/c23-17-9-4-10-18(19(17)24)25-20(27)14-6-3-5-13(11-14)12-26-21(28)15-7-1-2-8-16(15)22(26)29/h1-11H,12H2,(H,25,27)
InChIKeyYHNLIXQIICFZND-UHFFFAOYSA-N
MW408.82 g/mol
LogP4.53
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (PubChem CID 9146369) has the molecular formula C22H14ClFN2O3 and a molecular weight of 408.82 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
PubChem CID9146369
Molecular FormulaC22H14ClFN2O3
Molecular Weight408.82 g/mol
Exact Mass408.07
IUPAC NameN-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H14ClFN2O3/c23-17-9-4-10-18(19(17)24)25-20(27)14-6-3-5-13(11-14)12-26-21(28)15-7-1-2-8-16(15)22(26)29/h1-11H,12H2,(H,25,27)
InChIKeyYHNLIXQIICFZND-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7774642
2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 46543344
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
N-[4-(cyanomethyl)phenyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9260427
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155
N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
CID 9330916
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9218396
2-benzyl-1,3-dioxo-N-(2-pyrrolidin-1-ylphenyl)isoindole-5-carboxamide
CID 55360543

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (CID 9146369) is N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is O=C(Nc1cccc(Cl)c1F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The InChIKey is YHNLIXQIICFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O3/c23-17-9-4-10-18(19(17)24)25-20(27)14-6-3-5-13(11-14)12-26-21(28)15-7-1-2-8-16(15)22(26)29/h1-11H,12H2,(H,25,27).
What are the key properties of N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide has a molecular weight of 408.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 9146369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).