N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide

C20H14Cl2N2O3 — CID 127032838

IUPACN-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1Cl
InChIInChI=1S/C20H14Cl2N2O3/c1-11-8-9-27-18(11)19(25)23-14-6-7-15(17(22)16(14)21)24-10-12-4-2-3-5-13(12)20(24)26/h2-9H,10H2,1H3,(H,23,25)
InChIKeySRKNVVBVQPCTIB-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.31
Rot. Bonds3

About N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide

N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide (PubChem CID 127032838) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
PubChem CID127032838
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC NameN-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1Cl
InChIInChI=1S/C20H14Cl2N2O3/c1-11-8-9-27-18(11)19(25)23-14-6-7-15(17(22)16(14)21)24-10-12-4-2-3-5-13(12)20(24)26/h2-9H,10H2,1H3,(H,23,25)
InChIKeySRKNVVBVQPCTIB-UHFFFAOYSA-N
XLogP5.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide (CID 127032838) is N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1Cl.
What is the InChIKey of N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is SRKNVVBVQPCTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c1-11-8-9-27-18(11)19(25)23-14-6-7-15(17(22)16(14)21)24-10-12-4-2-3-5-13(12)20(24)26/h2-9H,10H2,1H3,(H,23,25).
What are the key properties of N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide has a molecular weight of 401.25 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 127032838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).