N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide

C12H12ClN3O — CID 54917775

IUPACN-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CNC1CC1
InChIInChI=1S/C12H12ClN3O/c13-9-2-1-8(6-14)11(5-9)16-12(17)7-15-10-3-4-10/h1-2,5,10,15H,3-4,7H2,(H,16,17)
InChIKeyROUODOYUOWBICM-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.90
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide

N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide (PubChem CID 54917775) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
PubChem CID54917775
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CNC1CC1
InChIInChI=1S/C12H12ClN3O/c13-9-2-1-8(6-14)11(5-9)16-12(17)7-15-10-3-4-10/h1-2,5,10,15H,3-4,7H2,(H,16,17)
InChIKeyROUODOYUOWBICM-UHFFFAOYSA-N
XLogP1.90
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64616779
N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide
CID 9265553
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 81270958
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697936
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide (CID 54917775) is N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide is N#Cc1ccc(Cl)cc1NC(=O)CNC1CC1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide?
The InChIKey is ROUODOYUOWBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-2-1-8(6-14)11(5-9)16-12(17)7-15-10-3-4-10/h1-2,5,10,15H,3-4,7H2,(H,16,17).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide?
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide has a molecular weight of 249.70 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 54917775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).