2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide

C10H12Br2ClNOS — CID 102844190

IUPAC2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H12Br2ClNOS/c1-3-14(4-2)10(15)8(13)7-5-6(11)9(12)16-7/h5,8H,3-4H2,1-2H3
InChIKeyDFPPOZILDJOQRM-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.42
Rot. Bonds4

About 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide

2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide (PubChem CID 102844190) has the molecular formula C10H12Br2ClNOS and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide
PubChem CID102844190
Molecular FormulaC10H12Br2ClNOS
Molecular Weight389.54 g/mol
Exact Mass386.87
IUPAC Name2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H12Br2ClNOS/c1-3-14(4-2)10(15)8(13)7-5-6(11)9(12)16-7/h5,8H,3-4H2,1-2H3
InChIKeyDFPPOZILDJOQRM-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide
CID 102844189
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
CID 102841092
2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
CID 102844193
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
CID 106531991
(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde
CID 175222168
2,3-dibromo-5-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538718
2,3-dibromo-5-(1-chloro-2,2-dimethylpropyl)thiophene
CID 80534293
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-chloro-N,N-diethylacetamide
CID 62224443
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide?
The IUPAC name of 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide (CID 102844190) is 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide?
The InChIKey is DFPPOZILDJOQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2ClNOS/c1-3-14(4-2)10(15)8(13)7-5-6(11)9(12)16-7/h5,8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide?
2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide has a molecular weight of 389.54 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide is sourced from PubChem (CID 102844190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).