5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide

C23H19NO2 — CID 4600572

IUPAC5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4ccccc4c3)o2)cc1C
InChIInChI=1S/C23H19NO2/c1-15-7-8-19(13-16(15)2)21-11-12-22(26-21)23(25)24-20-10-9-17-5-3-4-6-18(17)14-20/h3-14H,1-2H3,(H,24,25)
InChIKeyGADZJMSELYOWRE-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.97
Rot. Bonds3

About 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide

5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide (PubChem CID 4600572) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
PubChem CID4600572
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4ccccc4c3)o2)cc1C
InChIInChI=1S/C23H19NO2/c1-15-7-8-19(13-16(15)2)21-11-12-22(26-21)23(25)24-20-10-9-17-5-3-4-6-18(17)14-20/h3-14H,1-2H3,(H,24,25)
InChIKeyGADZJMSELYOWRE-UHFFFAOYSA-N
XLogP5.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3556398
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
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
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3381249
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
5-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 3563784
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4279841
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide (CID 4600572) is 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc4ccccc4c3)o2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide?
The InChIKey is GADZJMSELYOWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-15-7-8-19(13-16(15)2)21-11-12-22(26-21)23(25)24-20-10-9-17-5-3-4-6-18(17)14-20/h3-14H,1-2H3,(H,24,25).
What are the key properties of 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide?
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide is sourced from PubChem (CID 4600572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).