N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide

C19H16N2O2 — CID 121020585

IUPACN-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCCCc2cc3ccccc3o2)c1
InChIInChI=1S/C19H16N2O2/c20-13-14-5-3-7-16(11-14)19(22)21-10-4-8-17-12-15-6-1-2-9-18(15)23-17/h1-3,5-7,9,11-12H,4,8,10H2,(H,21,22)
InChIKeyCUKZCJPEOSYKDC-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.67
Rot. Bonds5

About N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide

N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide (PubChem CID 121020585) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
PubChem CID121020585
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCCCc2cc3ccccc3o2)c1
InChIInChI=1S/C19H16N2O2/c20-13-14-5-3-7-16(11-14)19(22)21-10-4-8-17-12-15-6-1-2-9-18(15)23-17/h1-3,5-7,9,11-12H,4,8,10H2,(H,21,22)
InChIKeyCUKZCJPEOSYKDC-UHFFFAOYSA-N
XLogP3.67
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
CID 121020588
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
CID 124761350
N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
CID 119103412
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
CID 139655415
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide (CID 121020585) is N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)NCCCc2cc3ccccc3o2)c1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide?
The InChIKey is CUKZCJPEOSYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c20-13-14-5-3-7-16(11-14)19(22)21-10-4-8-17-12-15-6-1-2-9-18(15)23-17/h1-3,5-7,9,11-12H,4,8,10H2,(H,21,22).
What are the key properties of N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide?
N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide has a molecular weight of 304.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide is sourced from PubChem (CID 121020585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).