N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H15FN2O2 — CID 107334050

IUPACN-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNc1cc(F)cc(NC(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C16H15FN2O2/c17-12-6-13(18)8-14(7-12)19-16(20)11-5-10-3-1-2-4-15(10)21-9-11/h1-4,6-8,11H,5,9,18H2,(H,19,20)
InChIKeyBVIDGOQKUMPALL-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.60
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 107334050) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID107334050
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNc1cc(F)cc(NC(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C16H15FN2O2/c17-12-6-13(18)8-14(7-12)19-16(20)11-5-10-3-1-2-4-15(10)21-9-11/h1-4,6-8,11H,5,9,18H2,(H,19,20)
InChIKeyBVIDGOQKUMPALL-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'}

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Related Compounds

N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107334144
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81304827
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-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 107334050) is N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is Nc1cc(F)cc(NC(=O)C2COc3ccccc3C2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BVIDGOQKUMPALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-6-13(18)8-14(7-12)19-16(20)11-5-10-3-1-2-4-15(10)21-9-11/h1-4,6-8,11H,5,9,18H2,(H,19,20).
What are the key properties of N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-amino-5-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-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 107334050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).