2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide

C13H16BrClN2O — CID 81270445

IUPAC2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
SMILESO=C(CNc1ccc(Cl)cc1Br)NC1CCCC1
InChIInChI=1S/C13H16BrClN2O/c14-11-7-9(15)5-6-12(11)16-8-13(18)17-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18)
InChIKeySJOYDGPSJJUDRM-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.57
Rot. Bonds4

About 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide

2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide (PubChem CID 81270445) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
PubChem CID81270445
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
SMILESO=C(CNc1ccc(Cl)cc1Br)NC1CCCC1
InChIInChI=1S/C13H16BrClN2O/c14-11-7-9(15)5-6-12(11)16-8-13(18)17-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18)
InChIKeySJOYDGPSJJUDRM-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202
N-cyclopentyl-2-(2,4-difluoroanilino)acetamide
CID 28582841
2-(2-bromo-4-carbamothioylanilino)-N-cyclopropylacetamide
CID 82804920
2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
CID 63100059
2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
CID 1379155
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
CID 37273913
2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
CID 2843077

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide (CID 81270445) is 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide is O=C(CNc1ccc(Cl)cc1Br)NC1CCCC1.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide?
The InChIKey is SJOYDGPSJJUDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-11-7-9(15)5-6-12(11)16-8-13(18)17-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18).
What are the key properties of 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide?
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide has a molecular weight of 331.64 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide is sourced from PubChem (CID 81270445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).