2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide

C12H12BrN3O — CID 82707597

IUPAC2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
SMILESN#Cc1cc(Br)ccc1NCC(=O)NC1CC1
InChIInChI=1S/C12H12BrN3O/c13-9-1-4-11(8(5-9)6-14)15-7-12(17)16-10-2-3-10/h1,4-5,10,15H,2-3,7H2,(H,16,17)
InChIKeyKAVBMMBRSJSGEB-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.01
Rot. Bonds4

About 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide

2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide (PubChem CID 82707597) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
PubChem CID82707597
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
SMILESN#Cc1cc(Br)ccc1NCC(=O)NC1CC1
InChIInChI=1S/C12H12BrN3O/c13-9-1-4-11(8(5-9)6-14)15-7-12(17)16-10-2-3-10/h1,4-5,10,15H,2-3,7H2,(H,16,17)
InChIKeyKAVBMMBRSJSGEB-UHFFFAOYSA-N
XLogP2.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
CID 43568515
2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide
CID 78994184
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512
2-(4-bromo-2-carbamothioylanilino)-N-cyclopropylacetamide
CID 114891372
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide
CID 82707532
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
4-(4-bromo-2-cyanoanilino)butanoic acid
CID 82708343
2-(2-bromo-4-carbamothioylanilino)-N-cyclopropylacetamide
CID 82804920

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide (CID 82707597) is 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide is N#Cc1cc(Br)ccc1NCC(=O)NC1CC1.
What is the InChIKey of 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide?
The InChIKey is KAVBMMBRSJSGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-9-1-4-11(8(5-9)6-14)15-7-12(17)16-10-2-3-10/h1,4-5,10,15H,2-3,7H2,(H,16,17).
What are the key properties of 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide?
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide has a molecular weight of 294.15 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 82707597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).