1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide

C16H13BrFNO — CID 134062088

IUPAC1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1F)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C16H13BrFNO/c17-12-5-3-4-11(10-12)16(8-9-16)15(20)19-14-7-2-1-6-13(14)18/h1-7,10H,8-9H2,(H,19,20)
InChIKeyDCGJACZFIRRWDO-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.26
Rot. Bonds3

About 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 134062088) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID134062088
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1F)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C16H13BrFNO/c17-12-5-3-4-11(10-12)16(8-9-16)15(20)19-14-7-2-1-6-13(14)18/h1-7,10H,8-9H2,(H,19,20)
InChIKeyDCGJACZFIRRWDO-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 134062088) is 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccccc1F)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DCGJACZFIRRWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-12-5-3-4-11(10-12)16(8-9-16)15(20)19-14-7-2-1-6-13(14)18/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 334.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134062088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).