4-tributylstannylbenzamide

C19H33NOSn — CID 11004124

IUPAC4-tributylstannylbenzamide
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(N)=O)cc1
InChIInChI=1S/C7H6NO.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H2,8,9);3*1,3-4H2,2H3;
InChIKeyNYEYKAILFRDVAH-UHFFFAOYSA-N
MW410.19 g/mol
LogP4.84
Rot. Bonds11

About 4-tributylstannylbenzamide

4-tributylstannylbenzamide (PubChem CID 11004124) has the molecular formula C19H33NOSn and a molecular weight of 410.19 g/mol. Its IUPAC name is 4-tributylstannylbenzamide.

Molecular Properties

Compound Name4-tributylstannylbenzamide
PubChem CID11004124
Molecular FormulaC19H33NOSn
Molecular Weight410.19 g/mol
Exact Mass411.16
IUPAC Name4-tributylstannylbenzamide
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(N)=O)cc1
InChIInChI=1S/C7H6NO.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H2,8,9);3*1,3-4H2,2H3;
InChIKeyNYEYKAILFRDVAH-UHFFFAOYSA-N
XLogP4.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.19
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tributylstannylbenzamide 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

4-tributylstannylbenzohydrazide
CID 66858741
benzene-1,4-dicarboxamide;undecanamide
CID 175165478
4-octylbenzamide;hydrochloride
CID 131740255
4-tributylstannylbenzenesulfonamide
CID 18768487
propyl 2-(4-tributylstannylphenoxy)acetate
CID 22503207
(5-tributylstannyl-2-pyridinyl)urea
CID 69092956
4-(2-methylnonan-2-yl)benzamide
CID 154959584
benzamide;hexanoic acid
CID 19438402
6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide
CID 177035431
(4-tributylstannylphenyl) heptadecanoate
CID 171771863
4-(hexan-2-ylamino)benzamide
CID 43760421
heptane;4-methylbenzamide;1,2,4-trimethylbenzene
CID 143814051

Frequently Asked Questions

What is the IUPAC name of 4-tributylstannylbenzamide?
The IUPAC name of 4-tributylstannylbenzamide (CID 11004124) is 4-tributylstannylbenzamide.
What is the SMILES notation for 4-tributylstannylbenzamide?
The canonical SMILES for 4-tributylstannylbenzamide is CCCC[Sn](CCCC)(CCCC)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-tributylstannylbenzamide?
The InChIKey is NYEYKAILFRDVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H2,8,9);3*1,3-4H2,2H3;.
What are the key properties of 4-tributylstannylbenzamide?
4-tributylstannylbenzamide has a molecular weight of 410.19 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tributylstannylbenzamide is sourced from PubChem (CID 11004124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).