N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide

C15H15ClN4O — CID 168543326

IUPACN-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC=C(C#N)C#N)cc1Cl
InChIInChI=1S/C15H15ClN4O/c1-2-3-4-15(21)20-14-6-5-12(7-13(14)16)19-10-11(8-17)9-18/h5-7,10,19H,2-4H2,1H3,(H,20,21)
InChIKeyJOCHIVYIKHPVAO-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.81
Rot. Bonds6

About N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide

N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide (PubChem CID 168543326) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide
PubChem CID168543326
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC NameN-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC=C(C#N)C#N)cc1Cl
InChIInChI=1S/C15H15ClN4O/c1-2-3-4-15(21)20-14-6-5-12(7-13(14)16)19-10-11(8-17)9-18/h5-7,10,19H,2-4H2,1H3,(H,20,21)
InChIKeyJOCHIVYIKHPVAO-UHFFFAOYSA-N
XLogP3.81
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
CID 169344602
N-[2-chloro-4-(1,2,2-tricyanoethenylamino)phenyl]butanamide
CID 168607949
N-[2-chloro-4-[2-(dicyanomethylidene)hydrazinyl]phenyl]butanamide
CID 169339175
N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide
CID 71889275
(1Z)-2-amino-N-[4-(butanoylamino)-3-chloroanilino]-2-iminoethanimidoyl cyanide
CID 172977506
N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide
CID 164638174
2-[[4-(4-butanoylpiperazin-1-yl)-3-chloroanilino]methylidene]propanedinitrile
CID 168542831
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
2-chloro-4-(2,2-dicyanoethenylamino)benzoic acid
CID 168541201
N-(4-formamido-2-methylphenyl)pentanamide
CID 168653385
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide?
The IUPAC name of N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide (CID 168543326) is N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide.
What is the SMILES notation for N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide?
The canonical SMILES for N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide is CCCCC(=O)Nc1ccc(NC=C(C#N)C#N)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide?
The InChIKey is JOCHIVYIKHPVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-2-3-4-15(21)20-14-6-5-12(7-13(14)16)19-10-11(8-17)9-18/h5-7,10,19H,2-4H2,1H3,(H,20,21).
What are the key properties of N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide?
N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide has a molecular weight of 302.77 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide is sourced from PubChem (CID 168543326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).