N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide

C21H17NO2 — CID 18876126

IUPACN-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3oc4ccccc4c3c2)cc1C
InChIInChI=1S/C21H17NO2/c1-13-7-9-16(11-14(13)2)22-21(23)15-8-10-20-18(12-15)17-5-3-4-6-19(17)24-20/h3-12H,1-2H3,(H,22,23)
InChIKeyGBFVFKJXOHUTMF-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.46
Rot. Bonds2

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

N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide (PubChem CID 18876126) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
PubChem CID18876126
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC NameN-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3oc4ccccc4c3c2)cc1C
InChIInChI=1S/C21H17NO2/c1-13-7-9-16(11-14(13)2)22-21(23)15-8-10-20-18(12-15)17-5-3-4-6-19(17)24-20/h3-12H,1-2H3,(H,22,23)
InChIKeyGBFVFKJXOHUTMF-UHFFFAOYSA-N
XLogP5.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911
N-dibenzofuran-2-yl-4-methylsulfonylbenzamide
CID 18081219
N-dibenzofuran-2-yl-3-iodobenzamide
CID 16552353
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide
CID 18876143
N-propyldibenzofuran-2-carboxamide
CID 19048225
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
N-(2-iodophenyl)dibenzofuran-2-carboxamide
CID 18876166
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide (CID 18876126) is N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide is Cc1ccc(NC(=O)c2ccc3oc4ccccc4c3c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide?
The InChIKey is GBFVFKJXOHUTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-13-7-9-16(11-14(13)2)22-21(23)15-8-10-20-18(12-15)17-5-3-4-6-19(17)24-20/h3-12H,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide?
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide is sourced from PubChem (CID 18876126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).