4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide

C19H12ClN3O3 — CID 24947965

IUPAC4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)c1ccc2c(=O)[nH]nc(Cl)c2c1
InChIInChI=1S/C19H12ClN3O3/c20-17-15-10-12(6-7-14(15)19(25)23-22-17)18(24)21-13-4-1-3-11(9-13)16-5-2-8-26-16/h1-10H,(H,21,24)(H,23,25)
InChIKeyURYJMMBAKCCDKN-UHFFFAOYSA-N
MW365.78 g/mol
LogP4.09
Rot. Bonds3

About 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide

4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide (PubChem CID 24947965) has the molecular formula C19H12ClN3O3 and a molecular weight of 365.78 g/mol. Its IUPAC name is 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide
PubChem CID24947965
Molecular FormulaC19H12ClN3O3
Molecular Weight365.78 g/mol
Exact Mass365.06
IUPAC Name4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)c1ccc2c(=O)[nH]nc(Cl)c2c1
InChIInChI=1S/C19H12ClN3O3/c20-17-15-10-12(6-7-14(15)19(25)23-22-17)18(24)21-13-4-1-3-11(9-13)16-5-2-8-26-16/h1-10H,(H,21,24)(H,23,25)
InChIKeyURYJMMBAKCCDKN-UHFFFAOYSA-N
XLogP4.09
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-oxo-N-[3-(trifluoromethyl)phenyl]-3H-phthalazine-6-carboxamide
CID 59743095
2,4-dichloro-N-[3-(furan-2-yl)phenyl]benzamide
CID 168526277
N-(4-anilinophenyl)-3-(furan-2-yl)benzamide
CID 168528867
4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
CID 69045328
5-(furan-2-yl)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 168527471
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
CID 168527887
3-[3-[(3,5-dichlorobenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
CID 58863539
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide?
The IUPAC name of 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide (CID 24947965) is 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide is O=C(Nc1cccc(-c2ccco2)c1)c1ccc2c(=O)[nH]nc(Cl)c2c1.
What is the InChIKey of 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide?
The InChIKey is URYJMMBAKCCDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3/c20-17-15-10-12(6-7-14(15)19(25)23-22-17)18(24)21-13-4-1-3-11(9-13)16-5-2-8-26-16/h1-10H,(H,21,24)(H,23,25).
What are the key properties of 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide?
4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide has a molecular weight of 365.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(furan-2-yl)phenyl]-1-oxo-2H-phthalazine-6-carboxamide is sourced from PubChem (CID 24947965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).