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

C13H15Br3N2O — CID 28992040

IUPACN-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide
SMILESO=C(CNc1c(Br)cc(Br)cc1Br)NC1CCCC1
InChIInChI=1S/C13H15Br3N2O/c14-8-5-10(15)13(11(16)6-8)17-7-12(19)18-9-3-1-2-4-9/h5-6,9,17H,1-4,7H2,(H,18,19)
InChIKeyNYQMVXCCMOPXHH-UHFFFAOYSA-N
MW454.99 g/mol
LogP4.44
Rot. Bonds4

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

N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide (PubChem CID 28992040) has the molecular formula C13H15Br3N2O and a molecular weight of 454.99 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide
PubChem CID28992040
Molecular FormulaC13H15Br3N2O
Molecular Weight454.99 g/mol
Exact Mass451.87
IUPAC NameN-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide
SMILESO=C(CNc1c(Br)cc(Br)cc1Br)NC1CCCC1
InChIInChI=1S/C13H15Br3N2O/c14-8-5-10(15)13(11(16)6-8)17-7-12(19)18-9-3-1-2-4-9/h5-6,9,17H,1-4,7H2,(H,18,19)
InChIKeyNYQMVXCCMOPXHH-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.99
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
CID 28992064
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
CID 108993493
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
N-cyclopentyl-2-(2,6-difluoroanilino)acetamide
CID 28879037
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
CID 107573480
2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
CID 104937840
N-cyclohexyl-2-(2,6-difluoroanilino)acetamide
CID 28879040
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
1-cyclopentyl-3-(2,4,6-tribromophenyl)thiourea
CID 116507228

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide (CID 28992040) is N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide is O=C(CNc1c(Br)cc(Br)cc1Br)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide?
The InChIKey is NYQMVXCCMOPXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br3N2O/c14-8-5-10(15)13(11(16)6-8)17-7-12(19)18-9-3-1-2-4-9/h5-6,9,17H,1-4,7H2,(H,18,19).
What are the key properties of N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide?
N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide has a molecular weight of 454.99 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide is sourced from PubChem (CID 28992040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).