N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide

C16H15BrCl2N2O2S — CID 55742593

IUPACN-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C16H15BrCl2N2O2S/c1-9(16(23)21(2)7-11-6-10(17)8-24-11)20-15(22)12-4-3-5-13(18)14(12)19/h3-6,8-9H,7H2,1-2H3,(H,20,22)
InChIKeyNQSDKBYGZFZQDG-UHFFFAOYSA-N
MW450.19 g/mol
LogP4.59
Rot. Bonds5

About N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide

N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide (PubChem CID 55742593) has the molecular formula C16H15BrCl2N2O2S and a molecular weight of 450.19 g/mol. Its IUPAC name is N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
PubChem CID55742593
Molecular FormulaC16H15BrCl2N2O2S
Molecular Weight450.19 g/mol
Exact Mass447.94
IUPAC NameN-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C16H15BrCl2N2O2S/c1-9(16(23)21(2)7-11-6-10(17)8-24-11)20-15(22)12-4-3-5-13(18)14(12)19/h3-6,8-9H,7H2,1-2H3,(H,20,22)
InChIKeyNQSDKBYGZFZQDG-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.19
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119228702
2,3-dichloro-N-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739251
2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739220
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 62642965
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084
2-chloro-N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]benzamide
CID 8965792
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9392331
2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide
CID 51233297
N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55935786
2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 119553991

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The IUPAC name of N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide (CID 55742593) is N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The InChIKey is NQSDKBYGZFZQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O2S/c1-9(16(23)21(2)7-11-6-10(17)8-24-11)20-15(22)12-4-3-5-13(18)14(12)19/h3-6,8-9H,7H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide has a molecular weight of 450.19 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide is sourced from PubChem (CID 55742593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).