2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide

C22H22N4O2 — CID 19777006

IUPAC2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
SMILESN#Cc1ccccc1C(=O)NCCCCCCNC(=O)c1ccccc1C#N
InChIInChI=1S/C22H22N4O2/c23-15-17-9-3-5-11-19(17)21(27)25-13-7-1-2-8-14-26-22(28)20-12-6-4-10-18(20)16-24/h3-6,9-12H,1-2,7-8,13-14H2,(H,25,27)(H,26,28)
InChIKeyDITRWOMESPXRNT-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.15
Rot. Bonds9

About 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide

2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide (PubChem CID 19777006) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
PubChem CID19777006
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
SMILESN#Cc1ccccc1C(=O)NCCCCCCNC(=O)c1ccccc1C#N
InChIInChI=1S/C22H22N4O2/c23-15-17-9-3-5-11-19(17)21(27)25-13-7-1-2-8-14-26-22(28)20-12-6-4-10-18(20)16-24/h3-6,9-12H,1-2,7-8,13-14H2,(H,25,27)(H,26,28)
InChIKeyDITRWOMESPXRNT-UHFFFAOYSA-N
XLogP3.15
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide
CID 134466501
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
N-butyl-2-prop-1-ynylbenzamide
CID 15438687
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide
CID 38769783
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
N-(4-cyanobutyl)-2-methylsulfanylbenzamide
CID 78929278

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide?
The IUPAC name of 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide (CID 19777006) is 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide.
What is the SMILES notation for 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide?
The canonical SMILES for 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide is N#Cc1ccccc1C(=O)NCCCCCCNC(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide?
The InChIKey is DITRWOMESPXRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-15-17-9-3-5-11-19(17)21(27)25-13-7-1-2-8-14-26-22(28)20-12-6-4-10-18(20)16-24/h3-6,9-12H,1-2,7-8,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide?
2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide is sourced from PubChem (CID 19777006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).