3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide

C12H14Cl3NO2 — CID 106244471

IUPAC3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
SMILESCOCC(Cl)CCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl3NO2/c1-18-7-9(13)2-3-16-12(17)8-4-10(14)6-11(15)5-8/h4-6,9H,2-3,7H2,1H3,(H,16,17)
InChIKeyFYTZWBBKYZMRFP-UHFFFAOYSA-N
MW310.61 g/mol
LogP3.37
Rot. Bonds6

About 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide

3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide (PubChem CID 106244471) has the molecular formula C12H14Cl3NO2 and a molecular weight of 310.61 g/mol. Its IUPAC name is 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
PubChem CID106244471
Molecular FormulaC12H14Cl3NO2
Molecular Weight310.61 g/mol
Exact Mass309.01
IUPAC Name3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
SMILESCOCC(Cl)CCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl3NO2/c1-18-7-9(13)2-3-16-12(17)8-4-10(14)6-11(15)5-8/h4-6,9H,2-3,7H2,1H3,(H,16,17)
InChIKeyFYTZWBBKYZMRFP-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 53.37
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

N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
CID 106244389
N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
CID 106243639
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
N-(3-chloro-4-methoxybutyl)-4-methylsulfanylbenzamide
CID 114163276
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107834723
4-bromo-N-(3-chloro-4-methoxybutyl)-3-fluorobenzamide
CID 114163209
N-(3-chloro-4-methoxybutyl)-6-methylpyridine-3-carboxamide
CID 106244040
4-bromo-N-(3-chloro-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243738
3,5-dichloro-N-propylbenzamide
CID 2767298

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide (CID 106244471) is 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide is COCC(Cl)CCNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide?
The InChIKey is FYTZWBBKYZMRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO2/c1-18-7-9(13)2-3-16-12(17)8-4-10(14)6-11(15)5-8/h4-6,9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide?
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide has a molecular weight of 310.61 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide is sourced from PubChem (CID 106244471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).