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

C15H9ClN4O2 — CID 71889275

IUPACN-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide
SMILESN#CC(C#N)=CNc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C15H9ClN4O2/c16-12-6-11(19-9-10(7-17)8-18)3-4-13(12)20-15(21)14-2-1-5-22-14/h1-6,9,19H,(H,20,21)
InChIKeyUUUNUISMQXBGMX-UHFFFAOYSA-N
MW312.72 g/mol
LogP3.53
Rot. Bonds4

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

N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide (PubChem CID 71889275) has the molecular formula C15H9ClN4O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide
PubChem CID71889275
Molecular FormulaC15H9ClN4O2
Molecular Weight312.72 g/mol
Exact Mass312.04
IUPAC NameN-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide
SMILESN#CC(C#N)=CNc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C15H9ClN4O2/c16-12-6-11(19-9-10(7-17)8-18)3-4-13(12)20-15(21)14-2-1-5-22-14/h1-6,9,19H,(H,20,21)
InChIKeyUUUNUISMQXBGMX-UHFFFAOYSA-N
XLogP3.53
TPSA101.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide
CID 168543326
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
N-[4-[(4-benzamido-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57248454
N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1348018
N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
CID 168521364
N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 60544197

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide (CID 71889275) is N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide is N#CC(C#N)=CNc1ccc(NC(=O)c2ccco2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide?
The InChIKey is UUUNUISMQXBGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2/c16-12-6-11(19-9-10(7-17)8-18)3-4-13(12)20-15(21)14-2-1-5-22-14/h1-6,9,19H,(H,20,21).
What are the key properties of N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide?
N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide has a molecular weight of 312.72 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 71889275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).