N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H14N2O2 — CID 60675908

IUPACN-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C17H14N2O2/c18-10-13-6-1-3-7-15(13)19-17(20)14-9-12-5-2-4-8-16(12)21-11-14/h1-8,14H,9,11H2,(H,19,20)
InChIKeyWWYBJTGAPNUDJV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.75
Rot. Bonds2

About N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 60675908) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID60675908
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C17H14N2O2/c18-10-13-6-1-3-7-15(13)19-17(20)14-9-12-5-2-4-8-16(12)21-11-14/h1-8,14H,9,11H2,(H,19,20)
InChIKeyWWYBJTGAPNUDJV-UHFFFAOYSA-N
XLogP2.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 40880949
N-(2-methyl-5-nitrophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628945
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(1H-indazol-7-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420816
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
(2-cyanophenyl)methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 42920781
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 60675908) is N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is N#Cc1ccccc1NC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is WWYBJTGAPNUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-10-13-6-1-3-7-15(13)19-17(20)14-9-12-5-2-4-8-16(12)21-11-14/h1-8,14H,9,11H2,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 60675908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).