2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide

C13H8BrClN2O2S — CID 2117847

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrClN2O2S/c14-10-5-9(15)1-2-11(10)19-7-12(18)17-13-8(6-16)3-4-20-13/h1-5H,7H2,(H,17,18)
InChIKeyFQCJVMHUPQFFHV-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 2117847) has the molecular formula C13H8BrClN2O2S and a molecular weight of 371.64 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID2117847
Molecular FormulaC13H8BrClN2O2S
Molecular Weight371.64 g/mol
Exact Mass369.92
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrClN2O2S/c14-10-5-9(15)1-2-11(10)19-7-12(18)17-13-8(6-16)3-4-20-13/h1-5H,7H2,(H,17,18)
InChIKeyFQCJVMHUPQFFHV-UHFFFAOYSA-N
XLogP4.05
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
CID 8728168
(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
CID 8728164
2-(2-chloro-4-phenylphenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 18224963
N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 2970423
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8875978
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8904958
N-(3-cyanothiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 27271462
methyl 4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethoxy]-3-nitrobenzoate
CID 30122780
2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3306540
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
N-(4-bromophenyl)-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80710351

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide (CID 2117847) is 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide is N#Cc1ccsc1NC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is FQCJVMHUPQFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2S/c14-10-5-9(15)1-2-11(10)19-7-12(18)17-13-8(6-16)3-4-20-13/h1-5H,7H2,(H,17,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 371.64 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 2117847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).