3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide

C12H15Cl2NO2 — CID 110418217

IUPAC3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-8(2)17-6-5-15-12(16)9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyTUGZBHHRYLWGEB-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.15
Rot. Bonds5

About 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide

3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 110418217) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID110418217
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-8(2)17-6-5-15-12(16)9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyTUGZBHHRYLWGEB-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
CID 49014960
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
4-chloro-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766605
3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide
CID 70798999
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide (CID 110418217) is 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is TUGZBHHRYLWGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-8(2)17-6-5-15-12(16)9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide?
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 276.16 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 110418217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).