N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide

C15H14BrClN2O2S — CID 9108735

IUPACN-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O2S/c1-19(9-10-6-7-13(16)22-10)14(20)8-18-15(21)11-4-2-3-5-12(11)17/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyOGRVZOYHOHJUND-UHFFFAOYSA-N
MW401.71 g/mol
LogP3.55
Rot. Bonds5

About N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide

N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide (PubChem CID 9108735) has the molecular formula C15H14BrClN2O2S and a molecular weight of 401.71 g/mol. Its IUPAC name is N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide
PubChem CID9108735
Molecular FormulaC15H14BrClN2O2S
Molecular Weight401.71 g/mol
Exact Mass399.96
IUPAC NameN-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O2S/c1-19(9-10-6-7-13(16)22-10)14(20)8-18-15(21)11-4-2-3-5-12(11)17/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyOGRVZOYHOHJUND-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9108741
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
3-[[2-[(2-chlorobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 60988640
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9119855
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-2-chlorobenzamide
CID 30510147
N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 27839407
2-chloro-N-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551605
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 56516070
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide (CID 9108735) is N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide is CN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is OGRVZOYHOHJUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2S/c1-19(9-10-6-7-13(16)22-10)14(20)8-18-15(21)11-4-2-3-5-12(11)17/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide?
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 401.71 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide is sourced from PubChem (CID 9108735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).