1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide

C15H21Cl2NO — CID 90203440

IUPAC1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide
SMILESCCC1CCC1(CC)c1cc(Cl)cc(Cl)c1.NC=O
InChIInChI=1S/C14H18Cl2.CH3NO/c1-3-10-5-6-14(10,4-2)11-7-12(15)9-13(16)8-11;2-1-3/h7-10H,3-6H2,1-2H3;1H,(H2,2,3)
InChIKeyHHESHWCGWWZYII-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.56
Rot. Bonds3

About 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide

1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide (PubChem CID 90203440) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide.

Molecular Properties

Compound Name1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide
PubChem CID90203440
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide
SMILESCCC1CCC1(CC)c1cc(Cl)cc(Cl)c1.NC=O
InChIInChI=1S/C14H18Cl2.CH3NO/c1-3-10-5-6-14(10,4-2)11-7-12(15)9-13(16)8-11;2-1-3/h7-10H,3-6H2,1-2H3;1H,(H2,2,3)
InChIKeyHHESHWCGWWZYII-UHFFFAOYSA-N
XLogP4.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide?
The IUPAC name of 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide (CID 90203440) is 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide.
What is the SMILES notation for 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide?
The canonical SMILES for 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide is CCC1CCC1(CC)c1cc(Cl)cc(Cl)c1.NC=O.
What is the InChIKey of 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide?
The InChIKey is HHESHWCGWWZYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2.CH3NO/c1-3-10-5-6-14(10,4-2)11-7-12(15)9-13(16)8-11;2-1-3/h7-10H,3-6H2,1-2H3;1H,(H2,2,3).
What are the key properties of 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide?
1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide has a molecular weight of 302.25 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide is sourced from PubChem (CID 90203440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).