N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C17H14ClN3O3 — CID 28867517

IUPACN-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14ClN3O3/c18-10-5-6-14(13(19)9-10)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h1-6,9H,7-8,19H2,(H,20,22)
InChIKeyPUCXCADYHNVXRD-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.55
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 28867517) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID28867517
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14ClN3O3/c18-10-5-6-14(13(19)9-10)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h1-6,9H,7-8,19H2,(H,20,22)
InChIKeyPUCXCADYHNVXRD-UHFFFAOYSA-N
XLogP2.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3512680
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113202368
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8839205
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8794641
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
CID 62850123
N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 78778183
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 28867517) is N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is Nc1cc(Cl)ccc1NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is PUCXCADYHNVXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-10-5-6-14(13(19)9-10)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h1-6,9H,7-8,19H2,(H,20,22).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 343.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 28867517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).