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

C11H12Cl3NO2 — CID 106183423

IUPAC2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
SMILESCOCC(CCl)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl3NO2/c1-17-6-8(5-12)15-11(16)9-4-7(13)2-3-10(9)14/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyDAPBJQVTWKEELJ-UHFFFAOYSA-N
MW296.58 g/mol
LogP2.98
Rot. Bonds5

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

2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide (PubChem CID 106183423) has the molecular formula C11H12Cl3NO2 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
PubChem CID106183423
Molecular FormulaC11H12Cl3NO2
Molecular Weight296.58 g/mol
Exact Mass294.99
IUPAC Name2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
SMILESCOCC(CCl)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl3NO2/c1-17-6-8(5-12)15-11(16)9-4-7(13)2-3-10(9)14/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyDAPBJQVTWKEELJ-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'}

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Related Compounds

2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
CID 114211333
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
CID 106183345
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide
CID 106182347
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 106183145
N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 106182352
N-(1-chloro-3-methoxypropan-2-yl)-2-hydroxy-4-methylbenzamide
CID 106183449
2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106182630
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
CID 106182456
N-(1-bromo-3-methoxypropan-2-yl)-4-chloro-2-methylbenzamide
CID 106184919
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
CID 106183426

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide (CID 106183423) is 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide is COCC(CCl)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The InChIKey is DAPBJQVTWKEELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2/c1-17-6-8(5-12)15-11(16)9-4-7(13)2-3-10(9)14/h2-4,8H,5-6H2,1H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
2,5-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 2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 106183423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).