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

C20H15ClN2O3 — CID 127034515

IUPACN-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1
InChIInChI=1S/C20H15ClN2O3/c1-12-9-10-26-18(12)19(24)22-14-5-7-15(8-6-14)23-11-13-3-2-4-16(21)17(13)20(23)25/h2-10H,11H2,1H3,(H,22,24)
InChIKeyVAMYHVAMPMQJMD-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.65
Rot. Bonds3

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

N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide (PubChem CID 127034515) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
PubChem CID127034515
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC NameN-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1
InChIInChI=1S/C20H15ClN2O3/c1-12-9-10-26-18(12)19(24)22-14-5-7-15(8-6-14)23-11-13-3-2-4-16(21)17(13)20(23)25/h2-10H,11H2,1H3,(H,22,24)
InChIKeyVAMYHVAMPMQJMD-UHFFFAOYSA-N
XLogP4.65
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide
CID 127030339
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122196094
N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
CID 122196113
N-[3-chloro-4-(7-fluoro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127031845
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127032838
N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46255708
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122193177
N-(9H-fluoren-2-yl)-3-methylfuran-2-carboxamide
CID 38708919
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 54858216

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide (CID 127034515) is N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1.
What is the InChIKey of N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is VAMYHVAMPMQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-12-9-10-26-18(12)19(24)22-14-5-7-15(8-6-14)23-11-13-3-2-4-16(21)17(13)20(23)25/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 4.65, 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)phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 127034515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).