3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide

C11H12Cl3NO2 — CID 106183248

IUPAC3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
SMILESCOCC(CCl)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl3NO2/c1-17-6-10(5-12)15-11(16)7-2-8(13)4-9(14)3-7/h2-4,10H,5-6H2,1H3,(H,15,16)
InChIKeyLKFWQZZGTYHWAK-UHFFFAOYSA-N
MW296.58 g/mol
LogP2.98
Rot. Bonds5

About 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide

3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide (PubChem CID 106183248) has the molecular formula C11H12Cl3NO2 and a molecular weight of 296.58 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
PubChem CID106183248
Molecular FormulaC11H12Cl3NO2
Molecular Weight296.58 g/mol
Exact Mass294.99
IUPAC Name3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
SMILESCOCC(CCl)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl3NO2/c1-17-6-10(5-12)15-11(16)7-2-8(13)4-9(14)3-7/h2-4,10H,5-6H2,1H3,(H,15,16)
InChIKeyLKFWQZZGTYHWAK-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide 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

3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
CID 106182456
3-chloro-N-(4-chloro-1-methoxybutan-2-yl)-5-nitrobenzamide
CID 106154909
3-chloro-N-(1-chlorobutan-2-yl)-5-methylbenzamide
CID 114294418
N-(1-chloro-3-methoxypropan-2-yl)-4-cyanobenzamide
CID 106182364
3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
CID 65382617
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzamide
CID 103850791
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
CID 106183345
N-(1-chloro-3-methoxypropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 114154989
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide (CID 106183248) is 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide is COCC(CCl)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The InChIKey is LKFWQZZGTYHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2/c1-17-6-10(5-12)15-11(16)7-2-8(13)4-9(14)3-7/h2-4,10H,5-6H2,1H3,(H,15,16).
What are the key properties of 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide has a molecular weight of 296.58 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 106183248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).