N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H11ClN2O2 — CID 103799791

IUPACN-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2Cc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C16H11ClN2O2/c17-12-7-10(9-18)5-6-13(12)19-16(20)15-8-11-3-1-2-4-14(11)21-15/h1-7,15H,8H2,(H,19,20)
InChIKeyZLNPKSPDVGEQPI-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.15
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 103799791) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID103799791
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC NameN-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2Cc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C16H11ClN2O2/c17-12-7-10(9-18)5-6-13(12)19-16(20)15-8-11-3-1-2-4-14(11)21-15/h1-7,15H,8H2,(H,19,20)
InChIKeyZLNPKSPDVGEQPI-UHFFFAOYSA-N
XLogP3.15
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083240
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
N-(2-amino-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107697069
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9077488
(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707711
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676300

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 103799791) is N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is N#Cc1ccc(NC(=O)C2Cc3ccccc3O2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZLNPKSPDVGEQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-7-10(9-18)5-6-13(12)19-16(20)15-8-11-3-1-2-4-14(11)21-15/h1-7,15H,8H2,(H,19,20).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103799791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).