N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide

C12H13Br3N2O — CID 43126368

IUPACN-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
SMILESCC(Nc1c(Br)cc(Br)cc1Br)C(=O)NC1CC1
InChIInChI=1S/C12H13Br3N2O/c1-6(12(18)17-8-2-3-8)16-11-9(14)4-7(13)5-10(11)15/h4-6,8,16H,2-3H2,1H3,(H,17,18)
InChIKeyYBZWKLLNUDXWBX-UHFFFAOYSA-N
MW440.96 g/mol
LogP4.05
Rot. Bonds4

About N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide

N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide (PubChem CID 43126368) has the molecular formula C12H13Br3N2O and a molecular weight of 440.96 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
PubChem CID43126368
Molecular FormulaC12H13Br3N2O
Molecular Weight440.96 g/mol
Exact Mass437.86
IUPAC NameN-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
SMILESCC(Nc1c(Br)cc(Br)cc1Br)C(=O)NC1CC1
InChIInChI=1S/C12H13Br3N2O/c1-6(12(18)17-8-2-3-8)16-11-9(14)4-7(13)5-10(11)15/h4-6,8,16H,2-3H2,1H3,(H,17,18)
InChIKeyYBZWKLLNUDXWBX-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726
N-methyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126367
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81280708
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
CID 113406572
2,4,6-tribromo-N-(1-cyclopentylethyl)aniline
CID 55200172
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
CID 102853387
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide?
The IUPAC name of N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide (CID 43126368) is N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide is CC(Nc1c(Br)cc(Br)cc1Br)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide?
The InChIKey is YBZWKLLNUDXWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br3N2O/c1-6(12(18)17-8-2-3-8)16-11-9(14)4-7(13)5-10(11)15/h4-6,8,16H,2-3H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide?
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide has a molecular weight of 440.96 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide is sourced from PubChem (CID 43126368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).