2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide

C13H12BrClN2OS — CID 102840225

IUPAC2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
SMILESNC(=O)C(NCc1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H12BrClN2OS/c14-9-6-10(19-12(9)15)11(13(16)18)17-7-8-4-2-1-3-5-8/h1-6,11,17H,7H2,(H2,16,18)
InChIKeyVPTPPLQHRHFVGQ-UHFFFAOYSA-N
MW359.68 g/mol
LogP3.48
Rot. Bonds5

About 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide

2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide (PubChem CID 102840225) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
PubChem CID102840225
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC Name2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
SMILESNC(=O)C(NCc1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H12BrClN2OS/c14-9-6-10(19-12(9)15)11(13(16)18)17-7-8-4-2-1-3-5-8/h1-6,11,17H,7H2,(H2,16,18)
InChIKeyVPTPPLQHRHFVGQ-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282
2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
CID 105401783
2-(benzylamino)-2-(4-bromo-5-methylthiophen-2-yl)acetic acid
CID 102840631
2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
CID 102840263
2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
CID 81436090
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
CID 102828408
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 113268835
2-(benzylamino)-2-(4,5-dibromothiophen-2-yl)ethanol
CID 102843326
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide?
The IUPAC name of 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide (CID 102840225) is 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide?
The canonical SMILES for 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide is NC(=O)C(NCc1ccccc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide?
The InChIKey is VPTPPLQHRHFVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c14-9-6-10(19-12(9)15)11(13(16)18)17-7-8-4-2-1-3-5-8/h1-6,11,17H,7H2,(H2,16,18).
What are the key properties of 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide?
2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide has a molecular weight of 359.68 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide is sourced from PubChem (CID 102840225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).