2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide

C26H20ClN3O4 — CID 55805338

IUPAC2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H20ClN3O4/c27-22-13-18(11-12-21(22)24(32)28-17-9-10-17)29-23(31)16-7-5-15(6-8-16)14-30-25(33)19-3-1-2-4-20(19)26(30)34/h1-8,11-13,17H,9-10,14H2,(H,28,32)(H,29,31)
InChIKeyYLGJKJISTIYPRP-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.28
Rot. Bonds6

About 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide

2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide (PubChem CID 55805338) has the molecular formula C26H20ClN3O4 and a molecular weight of 473.92 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide
PubChem CID55805338
Molecular FormulaC26H20ClN3O4
Molecular Weight473.92 g/mol
Exact Mass473.11
IUPAC Name2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H20ClN3O4/c27-22-13-18(11-12-21(22)24(32)28-17-9-10-17)29-23(31)16-7-5-15(6-8-16)14-30-25(33)19-3-1-2-4-20(19)26(30)34/h1-8,11-13,17H,9-10,14H2,(H,28,32)(H,29,31)
InChIKeyYLGJKJISTIYPRP-UHFFFAOYSA-N
XLogP4.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 34281206
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
CID 135358086
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
5-benzyl-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142419
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38329840
N-(4-aminocyclohexyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119475030
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
CID 17342168
1-benzylsulfonyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 55805217
2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
CID 55805274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide (CID 55805338) is 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide is O=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide?
The InChIKey is YLGJKJISTIYPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O4/c27-22-13-18(11-12-21(22)24(32)28-17-9-10-17)29-23(31)16-7-5-15(6-8-16)14-30-25(33)19-3-1-2-4-20(19)26(30)34/h1-8,11-13,17H,9-10,14H2,(H,28,32)(H,29,31).
What are the key properties of 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide?
2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide has a molecular weight of 473.92 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 55805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).