N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide

C9H11BrClNOS — CID 104556229

IUPACN-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
SMILESCC(CBr)N(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H11BrClNOS/c1-6(5-10)12(2)9(13)7-3-4-8(11)14-7/h3-4,6H,5H2,1-2H3
InChIKeyRBTJEOPZLBWVKL-UHFFFAOYSA-N
MW296.62 g/mol
LogP3.26
Rot. Bonds3

About N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide

N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide (PubChem CID 104556229) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
PubChem CID104556229
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC NameN-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
SMILESCC(CBr)N(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H11BrClNOS/c1-6(5-10)12(2)9(13)7-3-4-8(11)14-7/h3-4,6H,5H2,1-2H3
InChIKeyRBTJEOPZLBWVKL-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.26
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

N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872
3-[(5-chlorothiophene-2-carbonyl)-methylamino]butanoic acid
CID 110836897
N-(2-bromoethyl)-5-chloro-N-propylthiophene-2-carboxamide
CID 80665544
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104555878
5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
(E)-3-(5-chlorothiophen-2-yl)pent-2-enoic acid
CID 82048795
4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
CID 104556236
5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 25237569

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide (CID 104556229) is N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide is CC(CBr)N(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide?
The InChIKey is RBTJEOPZLBWVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-6(5-10)12(2)9(13)7-3-4-8(11)14-7/h3-4,6H,5H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide?
N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide has a molecular weight of 296.62 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 104556229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).