N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide

C20H15Cl2N3O4 — CID 26993725

IUPACN-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H15Cl2N3O4/c21-15-7-13-14(8-16(15)22)20(29)25(19(13)28)9-17(26)23-12-3-1-2-10(6-12)18(27)24-11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,23,26)(H,24,27)
InChIKeyDGHNZUJHPXUNDD-UHFFFAOYSA-N
MW432.26 g/mol
LogP3.12
Rot. Bonds5

About N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide

N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide (PubChem CID 26993725) has the molecular formula C20H15Cl2N3O4 and a molecular weight of 432.26 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
PubChem CID26993725
Molecular FormulaC20H15Cl2N3O4
Molecular Weight432.26 g/mol
Exact Mass431.04
IUPAC NameN-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H15Cl2N3O4/c21-15-7-13-14(8-16(15)22)20(29)25(19(13)28)9-17(26)23-12-3-1-2-10(6-12)18(27)24-11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,23,26)(H,24,27)
InChIKeyDGHNZUJHPXUNDD-UHFFFAOYSA-N
XLogP3.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.26
LogP ≤ 53.12
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

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 46687587
3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 46677334
3-[3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoylamino]-N-cyclopropylbenzamide
CID 26004051
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide
CID 92786679
N-cyclopropyl-3-[[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzamide
CID 45029723

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide (CID 26993725) is N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide?
The InChIKey is DGHNZUJHPXUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O4/c21-15-7-13-14(8-16(15)22)20(29)25(19(13)28)9-17(26)23-12-3-1-2-10(6-12)18(27)24-11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,23,26)(H,24,27).
What are the key properties of N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide has a molecular weight of 432.26 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 26993725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).