N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide

C25H15ClN2O3 — CID 5153626

IUPACN-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc2ccccc12
InChIInChI=1S/C25H15ClN2O3/c26-21-14-16(28-24(30)19-9-3-4-10-20(19)25(28)31)12-13-22(21)27-23(29)18-11-5-7-15-6-1-2-8-17(15)18/h1-14H,(H,27,29)
InChIKeyJWMZABHGASYSSD-UHFFFAOYSA-N
MW426.86 g/mol
LogP5.55
Rot. Bonds3

About N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide

N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 5153626) has the molecular formula C25H15ClN2O3 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
PubChem CID5153626
Molecular FormulaC25H15ClN2O3
Molecular Weight426.86 g/mol
Exact Mass426.08
IUPAC NameN-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc2ccccc12
InChIInChI=1S/C25H15ClN2O3/c26-21-14-16(28-24(30)19-9-3-4-10-20(19)25(28)31)12-13-22(21)27-23(29)18-11-5-7-15-6-1-2-8-17(15)18/h1-14H,(H,27,29)
InChIKeyJWMZABHGASYSSD-UHFFFAOYSA-N
XLogP5.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.86
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide (CID 5153626) is N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc2ccccc12.
What is the InChIKey of N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is JWMZABHGASYSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN2O3/c26-21-14-16(28-24(30)19-9-3-4-10-20(19)25(28)31)12-13-22(21)27-23(29)18-11-5-7-15-6-1-2-8-17(15)18/h1-14H,(H,27,29).
What are the key properties of N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide?
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 5153626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).