N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C19H18FNOS2 — CID 55559839

IUPACN-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(C2SCCS2)c1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FNOS2/c20-15-6-4-14(5-7-15)19(8-9-19)18(22)21-16-3-1-2-13(12-16)17-23-10-11-24-17/h1-7,12,17H,8-11H2,(H,21,22)
InChIKeyHQBSKSZEIXERMY-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.97
Rot. Bonds4

About N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 55559839) has the molecular formula C19H18FNOS2 and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID55559839
Molecular FormulaC19H18FNOS2
Molecular Weight359.49 g/mol
Exact Mass359.08
IUPAC NameN-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(C2SCCS2)c1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FNOS2/c20-15-6-4-14(5-7-15)19(8-9-19)18(22)21-16-3-1-2-13(12-16)17-23-10-11-24-17/h1-7,12,17H,8-11H2,(H,21,22)
InChIKeyHQBSKSZEIXERMY-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 78811101
N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46535412
1-cyano-N-[3-(1,3-dithian-2-yl)phenyl]cyclopentane-1-carboxamide
CID 39629590
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 71887243
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
CID 35368286
1-(4-fluorophenyl)-N-(3-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 55979337
N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55607065
1-(4-fluorophenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclobutane-1-carboxamide
CID 134025617
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylbenzamide
CID 27889252
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 55559839) is N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1cccc(C2SCCS2)c1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is HQBSKSZEIXERMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNOS2/c20-15-6-4-14(5-7-15)19(8-9-19)18(22)21-16-3-1-2-13(12-16)17-23-10-11-24-17/h1-7,12,17H,8-11H2,(H,21,22).
What are the key properties of N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55559839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).