2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide

C14H19BrN2O — CID 63333682

IUPAC2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
SMILESCc1ccc(NCC(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-6-7-12(8-13(10)15)16-9-14(18)17-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18)
InChIKeyMUTFNPZHUOOYIY-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide

2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide (PubChem CID 63333682) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
PubChem CID63333682
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
SMILESCc1ccc(NCC(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-6-7-12(8-13(10)15)16-9-14(18)17-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18)
InChIKeyMUTFNPZHUOOYIY-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
CID 107573480
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098146
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 55137262
N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide
CID 28992040
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide (CID 63333682) is 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide is Cc1ccc(NCC(=O)NC2CCCC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide?
The InChIKey is MUTFNPZHUOOYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-6-7-12(8-13(10)15)16-9-14(18)17-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide?
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide has a molecular weight of 311.22 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide is sourced from PubChem (CID 63333682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).