N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide

C25H19NO3 — CID 3556398

IUPACN-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)o2)cc1C
InChIInChI=1S/C25H19NO3/c1-15-7-8-17(13-16(15)2)21-11-12-23(28-21)25(27)26-18-9-10-20-19-5-3-4-6-22(19)29-24(20)14-18/h3-14H,1-2H3,(H,26,27)
InChIKeyVTLBEYOZXYMCDX-UHFFFAOYSA-N
MW381.43 g/mol
LogP6.72
Rot. Bonds3

About N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide

N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 3556398) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
PubChem CID3556398
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC NameN-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)o2)cc1C
InChIInChI=1S/C25H19NO3/c1-15-7-8-17(13-16(15)2)21-11-12-23(28-21)25(27)26-18-9-10-20-19-5-3-4-6-22(19)29-24(20)14-18/h3-14H,1-2H3,(H,26,27)
InChIKeyVTLBEYOZXYMCDX-UHFFFAOYSA-N
XLogP6.72
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3381249
5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 4287180
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide (CID 3556398) is N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)o2)cc1C.
What is the InChIKey of N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is VTLBEYOZXYMCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c1-15-7-8-17(13-16(15)2)21-11-12-23(28-21)25(27)26-18-9-10-20-19-5-3-4-6-22(19)29-24(20)14-18/h3-14H,1-2H3,(H,26,27).
What are the key properties of N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide?
N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3556398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).