N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide

C18H13N3O3 — CID 168521643

IUPACN-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESN#CCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H13N3O3/c19-9-8-17(22)20-13-5-3-6-14(11-13)21-18(23)16-10-12-4-1-2-7-15(12)24-16/h1-7,10-11H,8H2,(H,20,22)(H,21,23)
InChIKeyXHGKSZYIAHHUCN-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.54
Rot. Bonds4

About N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide

N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 168521643) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID168521643
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESN#CCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H13N3O3/c19-9-8-17(22)20-13-5-3-6-14(11-13)21-18(23)16-10-12-4-1-2-7-15(12)24-16/h1-7,10-11H,8H2,(H,20,22)(H,21,23)
InChIKeyXHGKSZYIAHHUCN-UHFFFAOYSA-N
XLogP3.54
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22775944
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080
N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20856926
(2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide
CID 17387306
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22780436
methyl N'-[3-(1-benzofuran-2-carbonylamino)phenyl]-N-cyanocarbamimidothioate
CID 169361979
N-[3-[(3-bromobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17112130
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[3-[(3-phenylmethoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17314567

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 168521643) is N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide is N#CCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is XHGKSZYIAHHUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c19-9-8-17(22)20-13-5-3-6-14(11-13)21-18(23)16-10-12-4-1-2-7-15(12)24-16/h1-7,10-11H,8H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide?
N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 168521643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).