N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide

C14H12BrClFNOS — CID 60674505

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H12BrClFNOS/c1-2-18(8-10-4-6-13(15)20-10)14(19)11-7-9(16)3-5-12(11)17/h3-7H,2,8H2,1H3
InChIKeyZJUFNIBPCQKXCI-UHFFFAOYSA-N
MW376.68 g/mol
LogP4.97
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide

N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide (PubChem CID 60674505) has the molecular formula C14H12BrClFNOS and a molecular weight of 376.68 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide
PubChem CID60674505
Molecular FormulaC14H12BrClFNOS
Molecular Weight376.68 g/mol
Exact Mass374.95
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H12BrClFNOS/c1-2-18(8-10-4-6-13(15)20-10)14(19)11-7-9(16)3-5-12(11)17/h3-7H,2,8H2,1H3
InChIKeyZJUFNIBPCQKXCI-UHFFFAOYSA-N
XLogP4.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 54.97
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]-5-chloro-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide (CID 60674505) is N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide?
The InChIKey is ZJUFNIBPCQKXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNOS/c1-2-18(8-10-4-6-13(15)20-10)14(19)11-7-9(16)3-5-12(11)17/h3-7H,2,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide?
N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-ethyl-2-fluorobenzamide has a molecular weight of 376.68 g/mol, XLogP of 4.97, 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]-5-chloro-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 60674505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).