N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C19H17BrFNO2 — CID 60568880

IUPACN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOc2ccc(Br)cc21)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17BrFNO2/c20-13-3-6-17-15(11-13)16(7-10-24-17)22-18(23)19(8-9-19)12-1-4-14(21)5-2-12/h1-6,11,16H,7-10H2,(H,22,23)
InChIKeyWZUXLNYSHAYEAR-UHFFFAOYSA-N
MW390.25 g/mol
LogP4.26
Rot. Bonds3

About N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 60568880) has the molecular formula C19H17BrFNO2 and a molecular weight of 390.25 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID60568880
Molecular FormulaC19H17BrFNO2
Molecular Weight390.25 g/mol
Exact Mass389.04
IUPAC NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOc2ccc(Br)cc21)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17BrFNO2/c20-13-3-6-17-15(11-13)16(7-10-24-17)22-18(23)19(8-9-19)12-1-4-14(21)5-2-12/h1-6,11,16H,7-10H2,(H,22,23)
InChIKeyWZUXLNYSHAYEAR-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 60568880) is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NC1CCOc2ccc(Br)cc21)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is WZUXLNYSHAYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFNO2/c20-13-3-6-17-15(11-13)16(7-10-24-17)22-18(23)19(8-9-19)12-1-4-14(21)5-2-12/h1-6,11,16H,7-10H2,(H,22,23).
What are the key properties of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 390.25 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 60568880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).