N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H15FN2O2 — CID 81304827

IUPACN-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNc1cccc(F)c1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H15FN2O2/c17-12-5-3-6-13(18)15(12)19-16(20)11-8-10-4-1-2-7-14(10)21-9-11/h1-7,11H,8-9,18H2,(H,19,20)
InChIKeyURKJVIPKAJIRSH-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.60
Rot. Bonds2

About N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 81304827) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID81304827
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNc1cccc(F)c1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H15FN2O2/c17-12-5-3-6-13(18)15(12)19-16(20)11-8-10-4-1-2-7-14(10)21-9-11/h1-7,11H,8-9,18H2,(H,19,20)
InChIKeyURKJVIPKAJIRSH-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107334050
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 81304827) is N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is Nc1cccc(F)c1NC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is URKJVIPKAJIRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-5-3-6-13(18)15(12)19-16(20)11-8-10-4-1-2-7-14(10)21-9-11/h1-7,11H,8-9,18H2,(H,19,20).
What are the key properties of N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 81304827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).