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

C16H20BrN3O — CID 107789569

IUPAC2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
SMILESN#Cc1ccc(NCC(=O)NC2CCCCCC2)c(Br)c1
InChIInChI=1S/C16H20BrN3O/c17-14-9-12(10-18)7-8-15(14)19-11-16(21)20-13-5-3-1-2-4-6-13/h7-9,13,19H,1-6,11H2,(H,20,21)
InChIKeyRFNUWYARSFHCJB-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.57
Rot. Bonds4

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

2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide (PubChem CID 107789569) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
PubChem CID107789569
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
SMILESN#Cc1ccc(NCC(=O)NC2CCCCCC2)c(Br)c1
InChIInChI=1S/C16H20BrN3O/c17-14-9-12(10-18)7-8-15(14)19-11-16(21)20-13-5-3-1-2-4-6-13/h7-9,13,19H,1-6,11H2,(H,20,21)
InChIKeyRFNUWYARSFHCJB-UHFFFAOYSA-N
XLogP3.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
CID 62059710
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(2-bromo-4-cyanoanilino)acetamide
CID 82797706
2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide
CID 107807783
2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
CID 107789540
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202
2-(2-bromo-4-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 107789712
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103865855
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide (CID 107789569) is 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide is N#Cc1ccc(NCC(=O)NC2CCCCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide?
The InChIKey is RFNUWYARSFHCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c17-14-9-12(10-18)7-8-15(14)19-11-16(21)20-13-5-3-1-2-4-6-13/h7-9,13,19H,1-6,11H2,(H,20,21).
What are the key properties of 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide?
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide has a molecular weight of 350.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 107789569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).