N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide

C21H14ClNO4 — CID 4895274

IUPACN-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide
SMILESCc1ccc(-c2c(NC(=O)c3ccco3)oc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C21H14ClNO4/c1-12-4-6-13(7-5-12)18-19(24)15-11-14(22)8-9-16(15)27-21(18)23-20(25)17-3-2-10-26-17/h2-11H,1H3,(H,23,25)
InChIKeyYHASUGDGWOUXJB-UHFFFAOYSA-N
MW379.80 g/mol
LogP5.27
Rot. Bonds3

About N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide

N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide (PubChem CID 4895274) has the molecular formula C21H14ClNO4 and a molecular weight of 379.80 g/mol. Its IUPAC name is N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide
PubChem CID4895274
Molecular FormulaC21H14ClNO4
Molecular Weight379.80 g/mol
Exact Mass379.06
IUPAC NameN-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide
SMILESCc1ccc(-c2c(NC(=O)c3ccco3)oc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C21H14ClNO4/c1-12-4-6-13(7-5-12)18-19(24)15-11-14(22)8-9-16(15)27-21(18)23-20(25)17-3-2-10-26-17/h2-11H,1H3,(H,23,25)
InChIKeyYHASUGDGWOUXJB-UHFFFAOYSA-N
XLogP5.27
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.80
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide
CID 4898812
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226
N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide
CID 16957135
N-[6-chloro-3-(4-fluorophenyl)-4-oxochromen-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7693526
N-[3-(1,3-benzodioxol-5-yl)-6-chloro-4-oxochromen-2-yl]-4-fluorobenzamide
CID 4896449
N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033424
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881
N-[6-chloro-3-(3-methoxyphenyl)-4-oxochromen-2-yl]-3-nitrobenzamide
CID 4900106
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-(2,6-dibromo-4-chlorophenyl)furan-2-carboxamide
CID 4192583
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide (CID 4895274) is N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide is Cc1ccc(-c2c(NC(=O)c3ccco3)oc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide?
The InChIKey is YHASUGDGWOUXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO4/c1-12-4-6-13(7-5-12)18-19(24)15-11-14(22)8-9-16(15)27-21(18)23-20(25)17-3-2-10-26-17/h2-11H,1H3,(H,23,25).
What are the key properties of N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide?
N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4895274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).