N-dibenzofuran-3-yl-3,4-dimethylbenzamide

C21H17NO2 — CID 3259661

IUPACN-dibenzofuran-3-yl-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C
InChIInChI=1S/C21H17NO2/c1-13-7-8-15(11-14(13)2)21(23)22-16-9-10-18-17-5-3-4-6-19(17)24-20(18)12-16/h3-12H,1-2H3,(H,22,23)
InChIKeyQZUQEOZYJXSXRO-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.46
Rot. Bonds2

About N-dibenzofuran-3-yl-3,4-dimethylbenzamide

N-dibenzofuran-3-yl-3,4-dimethylbenzamide (PubChem CID 3259661) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-3,4-dimethylbenzamide
PubChem CID3259661
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC NameN-dibenzofuran-3-yl-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C
InChIInChI=1S/C21H17NO2/c1-13-7-8-15(11-14(13)2)21(23)22-16-9-10-18-17-5-3-4-6-19(17)24-20(18)12-16/h3-12H,1-2H3,(H,22,23)
InChIKeyQZUQEOZYJXSXRO-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

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Related Compounds

N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3556398
N-dibenzofuran-3-yl-3,4-diethoxybenzamide
CID 100535304
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
N-dibenzofuran-3-yl-2-(3,4-dimethylphenoxy)propanamide
CID 133211026
2-methyl-N-(9-oxoxanthen-3-yl)benzamide
CID 23472165
N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911
3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
CID 4894452
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-3,4-dimethylbenzamide?
The IUPAC name of N-dibenzofuran-3-yl-3,4-dimethylbenzamide (CID 3259661) is N-dibenzofuran-3-yl-3,4-dimethylbenzamide.
What is the SMILES notation for N-dibenzofuran-3-yl-3,4-dimethylbenzamide?
The canonical SMILES for N-dibenzofuran-3-yl-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C.
What is the InChIKey of N-dibenzofuran-3-yl-3,4-dimethylbenzamide?
The InChIKey is QZUQEOZYJXSXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-13-7-8-15(11-14(13)2)21(23)22-16-9-10-18-17-5-3-4-6-19(17)24-20(18)12-16/h3-12H,1-2H3,(H,22,23).
What are the key properties of N-dibenzofuran-3-yl-3,4-dimethylbenzamide?
N-dibenzofuran-3-yl-3,4-dimethylbenzamide 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-dibenzofuran-3-yl-3,4-dimethylbenzamide is sourced from PubChem (CID 3259661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).