N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide

C16H15BrFNOS — CID 51292110

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNOS/c1-19(9-12-6-7-15(17)21-12)16(20)14-8-13(14)10-2-4-11(18)5-3-10/h2-7,13-14H,8-9H2,1H3
InChIKeyZPEKCCUWWVVBOL-UHFFFAOYSA-N
MW368.27 g/mol
LogP4.41
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 51292110) has the molecular formula C16H15BrFNOS and a molecular weight of 368.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID51292110
Molecular FormulaC16H15BrFNOS
Molecular Weight368.27 g/mol
Exact Mass367.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNOS/c1-19(9-12-6-7-15(17)21-12)16(20)14-8-13(14)10-2-4-11(18)5-3-10/h2-7,13-14H,8-9H2,1H3
InChIKeyZPEKCCUWWVVBOL-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 51292110) is N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide is CN(Cc1ccc(Br)s1)C(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is ZPEKCCUWWVVBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNOS/c1-19(9-12-6-7-15(17)21-12)16(20)14-8-13(14)10-2-4-11(18)5-3-10/h2-7,13-14H,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 51292110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).