N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide

C20H14ClFN2O3 — CID 127030339

IUPACN-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1F
InChIInChI=1S/C20H14ClFN2O3/c1-11-7-8-27-18(11)19(25)23-16-6-5-13(9-15(16)22)24-10-12-3-2-4-14(21)17(12)20(24)26/h2-9H,10H2,1H3,(H,23,25)
InChIKeyKCPKPYOQOIGRML-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.79
Rot. Bonds3

About N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide

N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide (PubChem CID 127030339) has the molecular formula C20H14ClFN2O3 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide
PubChem CID127030339
Molecular FormulaC20H14ClFN2O3
Molecular Weight384.79 g/mol
Exact Mass384.07
IUPAC NameN-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1F
InChIInChI=1S/C20H14ClFN2O3/c1-11-7-8-27-18(11)19(25)23-16-6-5-13(9-15(16)22)24-10-12-3-2-4-14(21)17(12)20(24)26/h2-9H,10H2,1H3,(H,23,25)
InChIKeyKCPKPYOQOIGRML-UHFFFAOYSA-N
XLogP4.79
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127034515
N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127032838
N-[3-chloro-4-(7-fluoro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127031845
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122193177
N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
CID 162648102
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122196094
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-3-methylfuran-2-carboxamide
CID 122196102
N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
CID 79766212
N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 122196127
N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide
CID 30804395
N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
CID 122196113
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methylfuran-2-carboxamide
CID 34277217

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide (CID 127030339) is N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1F.
What is the InChIKey of N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide?
The InChIKey is KCPKPYOQOIGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O3/c1-11-7-8-27-18(11)19(25)23-16-6-5-13(9-15(16)22)24-10-12-3-2-4-14(21)17(12)20(24)26/h2-9H,10H2,1H3,(H,23,25).
What are the key properties of N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide?
N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 127030339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).