N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C18H16BrClFNO — CID 55898540

IUPACN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(F)c(Br)c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C18H16BrClFNO/c19-15-9-11(5-6-17(15)21)7-8-22-18(23)14-10-13(14)12-3-1-2-4-16(12)20/h1-6,9,13-14H,7-8,10H2,(H,22,23)
InChIKeyGTOIQIIQRZNWNS-UHFFFAOYSA-N
MW396.69 g/mol
LogP4.70
Rot. Bonds5

About N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide

N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 55898540) has the molecular formula C18H16BrClFNO and a molecular weight of 396.69 g/mol. Its IUPAC name is N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID55898540
Molecular FormulaC18H16BrClFNO
Molecular Weight396.69 g/mol
Exact Mass395.01
IUPAC NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(F)c(Br)c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C18H16BrClFNO/c19-15-9-11(5-6-17(15)21)7-8-22-18(23)14-10-13(14)12-3-1-2-4-16(12)20/h1-6,9,13-14H,7-8,10H2,(H,22,23)
InChIKeyGTOIQIIQRZNWNS-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.69
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 55898540) is N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide is O=C(NCCc1ccc(F)c(Br)c1)C1CC1c1ccccc1Cl.
What is the InChIKey of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is GTOIQIIQRZNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClFNO/c19-15-9-11(5-6-17(15)21)7-8-22-18(23)14-10-13(14)12-3-1-2-4-16(12)20/h1-6,9,13-14H,7-8,10H2,(H,22,23).
What are the key properties of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 396.69 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55898540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).