1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide

C13H14BrF2NO2 — CID 130363609

IUPAC1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(c2cccc(Br)c2)CC(OC(F)F)C1
InChIInChI=1S/C13H14BrF2NO2/c1-17-11(18)13(6-10(7-13)19-12(15)16)8-3-2-4-9(14)5-8/h2-5,10,12H,6-7H2,1H3,(H,17,18)
InChIKeyCCDLRMOWVWXBLT-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.83
Rot. Bonds4

About 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide

1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide (PubChem CID 130363609) has the molecular formula C13H14BrF2NO2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide
PubChem CID130363609
Molecular FormulaC13H14BrF2NO2
Molecular Weight334.16 g/mol
Exact Mass333.02
IUPAC Name1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(c2cccc(Br)c2)CC(OC(F)F)C1
InChIInChI=1S/C13H14BrF2NO2/c1-17-11(18)13(6-10(7-13)19-12(15)16)8-3-2-4-9(14)5-8/h2-5,10,12H,6-7H2,1H3,(H,17,18)
InChIKeyCCDLRMOWVWXBLT-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide (CID 130363609) is 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide is CNC(=O)C1(c2cccc(Br)c2)CC(OC(F)F)C1.
What is the InChIKey of 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide?
The InChIKey is CCDLRMOWVWXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2NO2/c1-17-11(18)13(6-10(7-13)19-12(15)16)8-3-2-4-9(14)5-8/h2-5,10,12H,6-7H2,1H3,(H,17,18).
What are the key properties of 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide?
1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 130363609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).