(2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin

C12H14ClNO4Sn — CID 88771027

IUPAC(2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin
SMILESCOc1cc(OC)cc(C(=O)NC[Sn]C(=O)CCl)c1
InChIInChI=1S/C10H12NO3.C2H2ClO.Sn/c1-11-10(12)7-4-8(13-2)6-9(5-7)14-3;3-1-2-4;/h4-6H,1H2,2-3H3,(H,11,12);1H2;
InChIKeyZLOYDLLPJQIBKU-UHFFFAOYSA-N
MW390.41 g/mol
LogP0.86
Rot. Bonds7

About (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin

(2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin (PubChem CID 88771027) has the molecular formula C12H14ClNO4Sn and a molecular weight of 390.41 g/mol. Its IUPAC name is (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin.

Molecular Properties

Compound Name(2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin
PubChem CID88771027
Molecular FormulaC12H14ClNO4Sn
Molecular Weight390.41 g/mol
Exact Mass390.96
IUPAC Name(2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin
SMILESCOc1cc(OC)cc(C(=O)NC[Sn]C(=O)CCl)c1
InChIInChI=1S/C10H12NO3.C2H2ClO.Sn/c1-11-10(12)7-4-8(13-2)6-9(5-7)14-3;3-1-2-4;/h4-6H,1H2,2-3H3,(H,11,12);1H2;
InChIKeyZLOYDLLPJQIBKU-UHFFFAOYSA-N
XLogP0.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
N-(4-chloropentyl)-3,5-dimethoxybenzamide
CID 106130065
N-(4-bromo-2-methylbutyl)-3,5-dimethoxybenzamide
CID 114316944
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326

Frequently Asked Questions

What is the IUPAC name of (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin?
The IUPAC name of (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin (CID 88771027) is (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin.
What is the SMILES notation for (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin?
The canonical SMILES for (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin is COc1cc(OC)cc(C(=O)NC[Sn]C(=O)CCl)c1.
What is the InChIKey of (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin?
The InChIKey is ZLOYDLLPJQIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO3.C2H2ClO.Sn/c1-11-10(12)7-4-8(13-2)6-9(5-7)14-3;3-1-2-4;/h4-6H,1H2,2-3H3,(H,11,12);1H2;.
What are the key properties of (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin?
(2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin has a molecular weight of 390.41 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin is sourced from PubChem (CID 88771027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).