5-(4-chloro-2-cyanoanilino)pentanamide

C12H14ClN3O — CID 106236844

IUPAC5-(4-chloro-2-cyanoanilino)pentanamide
SMILESN#Cc1cc(Cl)ccc1NCCCCC(N)=O
InChIInChI=1S/C12H14ClN3O/c13-10-4-5-11(9(7-10)8-14)16-6-2-1-3-12(15)17/h4-5,7,16H,1-3,6H2,(H2,15,17)
InChIKeyDASAGFOFCCDREZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.28
Rot. Bonds6

About 5-(4-chloro-2-cyanoanilino)pentanamide

5-(4-chloro-2-cyanoanilino)pentanamide (PubChem CID 106236844) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-(4-chloro-2-cyanoanilino)pentanamide.

Molecular Properties

Compound Name5-(4-chloro-2-cyanoanilino)pentanamide
PubChem CID106236844
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-(4-chloro-2-cyanoanilino)pentanamide
SMILESN#Cc1cc(Cl)ccc1NCCCCC(N)=O
InChIInChI=1S/C12H14ClN3O/c13-10-4-5-11(9(7-10)8-14)16-6-2-1-3-12(15)17/h4-5,7,16H,1-3,6H2,(H2,15,17)
InChIKeyDASAGFOFCCDREZ-UHFFFAOYSA-N
XLogP2.28
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-cyanoanilino)ethyl carbamate
CID 83209624
4-(2-cyano-4-fluoroanilino)butanamide
CID 55248881
5-chloro-2-(3-methylsulfonylpropylamino)benzonitrile
CID 62492983
3-(4-chloro-2-cyanoanilino)-3-methylbutanamide
CID 106096695
5-(2-amino-4-cyanoanilino)pentanamide
CID 106234043
5-chloro-2-[2-(methylamino)ethylamino]benzonitrile
CID 62658191
4-(4-chloro-2-cyanoanilino)-2-methylbutanoic acid
CID 80539560
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
7-(2-cyano-4-fluoroanilino)heptanoic acid
CID 63663443
6-(2-cyano-4-fluoroanilino)hexanoic acid
CID 63663440
5-chloro-2-(3-phenoxypropylamino)benzonitrile
CID 62492672
N-[2-(4-chloro-2-cyanoanilino)ethyl]-4-methylbenzamide
CID 133282125

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-cyanoanilino)pentanamide?
The IUPAC name of 5-(4-chloro-2-cyanoanilino)pentanamide (CID 106236844) is 5-(4-chloro-2-cyanoanilino)pentanamide.
What is the SMILES notation for 5-(4-chloro-2-cyanoanilino)pentanamide?
The canonical SMILES for 5-(4-chloro-2-cyanoanilino)pentanamide is N#Cc1cc(Cl)ccc1NCCCCC(N)=O.
What is the InChIKey of 5-(4-chloro-2-cyanoanilino)pentanamide?
The InChIKey is DASAGFOFCCDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-10-4-5-11(9(7-10)8-14)16-6-2-1-3-12(15)17/h4-5,7,16H,1-3,6H2,(H2,15,17).
What are the key properties of 5-(4-chloro-2-cyanoanilino)pentanamide?
5-(4-chloro-2-cyanoanilino)pentanamide has a molecular weight of 251.72 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-cyanoanilino)pentanamide is sourced from PubChem (CID 106236844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).