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

C19H13ClN2O3 — CID 91678008

IUPACN-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccco1
InChIInChI=1S/C19H13ClN2O3/c20-15-10-13(22-11-12-4-1-2-5-14(12)19(22)24)7-8-16(15)21-18(23)17-6-3-9-25-17/h1-10H,11H2,(H,21,23)
InChIKeyUHJAJUVAHDNWFM-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.35
Rot. Bonds3

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

N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 91678008) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
PubChem CID91678008
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC NameN-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccco1
InChIInChI=1S/C19H13ClN2O3/c20-15-10-13(22-11-12-4-1-2-5-14(12)19(22)24)7-8-16(15)21-18(23)17-6-3-9-25-17/h1-10H,11H2,(H,21,23)
InChIKeyUHJAJUVAHDNWFM-UHFFFAOYSA-N
XLogP4.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl]furan-2-carboxamide
CID 1136457
N-[2-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]furan-2-carboxamide
CID 2906713
N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide
CID 23306451
N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
CID 50882067
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3519498
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678034
N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide
CID 4022142
N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168518948
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
2-(furan-2-carbonyl)-3H-isoindol-1-one
CID 102488354

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide (CID 91678008) is N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccco1.
What is the InChIKey of N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is UHJAJUVAHDNWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-15-10-13(22-11-12-4-1-2-5-14(12)19(22)24)7-8-16(15)21-18(23)17-6-3-9-25-17/h1-10H,11H2,(H,21,23).
What are the key properties of N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide?
N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 4.35, 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-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 91678008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).