5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide

C13H10BrCl2NOS — CID 60629480

IUPAC5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10BrCl2NOS/c1-7(8-2-3-9(15)10(16)6-8)17-13(18)11-4-5-12(14)19-11/h2-7H,1H3,(H,17,18)
InChIKeyKXQDXBRAUSBYQC-UHFFFAOYSA-N
MW379.11 g/mol
LogP5.31
Rot. Bonds3

About 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide

5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 60629480) has the molecular formula C13H10BrCl2NOS and a molecular weight of 379.11 g/mol. Its IUPAC name is 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID60629480
Molecular FormulaC13H10BrCl2NOS
Molecular Weight379.11 g/mol
Exact Mass376.90
IUPAC Name5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10BrCl2NOS/c1-7(8-2-3-9(15)10(16)6-8)17-13(18)11-4-5-12(14)19-11/h2-7H,1H3,(H,17,18)
InChIKeyKXQDXBRAUSBYQC-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.11
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 60674614
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60628969
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 115297266
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide (CID 60629480) is 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is KXQDXBRAUSBYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NOS/c1-7(8-2-3-9(15)10(16)6-8)17-13(18)11-4-5-12(14)19-11/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 379.11 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 60629480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).