5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide

C19H13ClN2O3 — CID 86872698

IUPAC5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H13ClN2O3/c20-15-4-2-1-3-13(15)16-7-8-17(25-16)19(24)22-12-6-5-11-10-21-18(23)14(11)9-12/h1-9H,10H2,(H,21,23)(H,22,24)
InChIKeyWZJZGGZEXLCLGT-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.10
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide (PubChem CID 86872698) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
PubChem CID86872698
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H13ClN2O3/c20-15-4-2-1-3-13(15)16-7-8-17(25-16)19(24)22-12-6-5-11-10-21-18(23)14(11)9-12/h1-9H,10H2,(H,21,23)(H,22,24)
InChIKeyWZJZGGZEXLCLGT-UHFFFAOYSA-N
XLogP4.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 8869966
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 86872687
6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one
CID 100631156
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
CID 99703143
2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
CID 71876742
1-benzyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)triazole-4-carboxamide
CID 86872730
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
CID 90524797
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide (CID 86872698) is 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide?
The InChIKey is WZJZGGZEXLCLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-15-4-2-1-3-13(15)16-7-8-17(25-16)19(24)22-12-6-5-11-10-21-18(23)14(11)9-12/h1-9H,10H2,(H,21,23)(H,22,24).
What are the key properties of 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 86872698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).