2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide

C17H10Cl2N4O — CID 168543040

IUPAC2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
SMILESN#CC(C#N)=CNc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H10Cl2N4O/c18-12-4-5-15(16(19)6-12)17(24)23-14-3-1-2-13(7-14)22-10-11(8-20)9-21/h1-7,10,22H,(H,23,24)
InChIKeyBEAUVYKELGGKLQ-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.59
Rot. Bonds4

About 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide

2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide (PubChem CID 168543040) has the molecular formula C17H10Cl2N4O and a molecular weight of 357.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
PubChem CID168543040
Molecular FormulaC17H10Cl2N4O
Molecular Weight357.20 g/mol
Exact Mass356.02
IUPAC Name2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
SMILESN#CC(C#N)=CNc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H10Cl2N4O/c18-12-4-5-15(16(19)6-12)17(24)23-14-3-1-2-13(7-14)22-10-11(8-20)9-21/h1-7,10,22H,(H,23,24)
InChIKeyBEAUVYKELGGKLQ-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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

4-chloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168542960
2,4-dichloro-N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]benzamide
CID 169344301
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
2-chloro-4-(2,2-dicyanoethenylamino)benzoic acid
CID 168541201
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
N-(5-chloro-2-methoxyphenyl)-3-(2,2-dicyanoethenylamino)benzamide
CID 168543244
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 1254200
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide (CID 168543040) is 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide is N#CC(C#N)=CNc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide?
The InChIKey is BEAUVYKELGGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O/c18-12-4-5-15(16(19)6-12)17(24)23-14-3-1-2-13(7-14)22-10-11(8-20)9-21/h1-7,10,22H,(H,23,24).
What are the key properties of 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide?
2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide has a molecular weight of 357.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide is sourced from PubChem (CID 168543040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).