2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide

C17H10Cl2N4O — CID 2747555

IUPAC2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide
SMILESN#CC(C#N)=C(NC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl2N4O/c18-12-5-7-13(8-6-12)22-16(11(9-20)10-21)23-17(24)14-3-1-2-4-15(14)19/h1-8,22H,(H,23,24)
InChIKeyRUGPPOPMCQPTCW-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.09
Rot. Bonds4

About 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide

2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide (PubChem CID 2747555) has the molecular formula C17H10Cl2N4O and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide
PubChem CID2747555
Molecular FormulaC17H10Cl2N4O
Molecular Weight357.20 g/mol
Exact Mass356.02
IUPAC Name2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide
SMILESN#CC(C#N)=C(NC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl2N4O/c18-12-5-7-13(8-6-12)22-16(11(9-20)10-21)23-17(24)14-3-1-2-4-15(14)19/h1-8,22H,(H,23,24)
InChIKeyRUGPPOPMCQPTCW-UHFFFAOYSA-N
XLogP4.09
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.09
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-chlorobenzoyl)-N-(4-chlorophenyl)oxamide
CID 2726843
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644954
3-anilino-2-(2-chlorobenzoyl)-3-methylsulfanylprop-2-enenitrile
CID 85420928
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide (CID 2747555) is 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide is N#CC(C#N)=C(NC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide?
The InChIKey is RUGPPOPMCQPTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O/c18-12-5-7-13(8-6-12)22-16(11(9-20)10-21)23-17(24)14-3-1-2-4-15(14)19/h1-8,22H,(H,23,24).
What are the key properties of 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide?
2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide has a molecular weight of 357.20 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chloroanilino)-2,2-dicyanoethenyl]benzamide is sourced from PubChem (CID 2747555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).