N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide

C12H13Br3N2O — CID 28992064

IUPACN-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
SMILESO=C(CNc1c(Br)cc(Br)cc1Br)NCC1CC1
InChIInChI=1S/C12H13Br3N2O/c13-8-3-9(14)12(10(15)4-8)17-6-11(18)16-5-7-1-2-7/h3-4,7,17H,1-2,5-6H2,(H,16,18)
InChIKeyJNDMZSUYXYXLIM-UHFFFAOYSA-N
MW440.96 g/mol
LogP3.91
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide

N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide (PubChem CID 28992064) has the molecular formula C12H13Br3N2O and a molecular weight of 440.96 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
PubChem CID28992064
Molecular FormulaC12H13Br3N2O
Molecular Weight440.96 g/mol
Exact Mass437.86
IUPAC NameN-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
SMILESO=C(CNc1c(Br)cc(Br)cc1Br)NCC1CC1
InChIInChI=1S/C12H13Br3N2O/c13-8-3-9(14)12(10(15)4-8)17-6-11(18)16-5-7-1-2-7/h3-4,7,17H,1-2,5-6H2,(H,16,18)
InChIKeyJNDMZSUYXYXLIM-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide
CID 28992040
N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide
CID 115564301
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
2-(4-bromo-2,3-dichloroanilino)-N-(cyclopropylmethyl)acetamide
CID 113429963
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29053888
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730
N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
CID 62810074
N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
CID 28568189
2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122198
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
CID 43126391
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide (CID 28992064) is N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide is O=C(CNc1c(Br)cc(Br)cc1Br)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide?
The InChIKey is JNDMZSUYXYXLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br3N2O/c13-8-3-9(14)12(10(15)4-8)17-6-11(18)16-5-7-1-2-7/h3-4,7,17H,1-2,5-6H2,(H,16,18).
What are the key properties of N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide?
N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide has a molecular weight of 440.96 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide is sourced from PubChem (CID 28992064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).