(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide

C17H14N2O3 — CID 97246485

IUPAC(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESN#Cc1ccc(O)c(NC(=O)[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C17H14N2O3/c18-10-11-5-6-15(20)14(9-11)19-17(21)13-7-8-22-16-4-2-1-3-12(13)16/h1-6,9,13,20H,7-8H2,(H,19,21)/t13-/m0/s1
InChIKeyOGHJUXZMDNRSKE-ZDUSSCGKSA-N
MW294.31 g/mol
LogP2.77
Rot. Bonds2

About (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide

(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 97246485) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID97246485
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESN#Cc1ccc(O)c(NC(=O)[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C17H14N2O3/c18-10-11-5-6-15(20)14(9-11)19-17(21)13-7-8-22-16-4-2-1-3-12(13)16/h1-6,9,13,20H,7-8H2,(H,19,21)/t13-/m0/s1
InChIKeyOGHJUXZMDNRSKE-ZDUSSCGKSA-N
XLogP2.77
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(5-cyano-2-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96503291
N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79760288
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-(1-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 55248313
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
CID 155944873
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71979950
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 97246485) is (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide is N#Cc1ccc(O)c(NC(=O)[C@H]2CCOc3ccccc32)c1.
What is the InChIKey of (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is OGHJUXZMDNRSKE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H14N2O3/c18-10-11-5-6-15(20)14(9-11)19-17(21)13-7-8-22-16-4-2-1-3-12(13)16/h1-6,9,13,20H,7-8H2,(H,19,21)/t13-/m0/s1.
What are the key properties of (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 97246485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).