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

C16H14FNO2 — CID 40840512

IUPAC(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C16H14FNO2/c17-13-6-2-3-7-14(13)18-16(19)12-9-11-5-1-4-8-15(11)20-10-12/h1-8,12H,9-10H2,(H,18,19)/t12-/m0/s1
InChIKeyZZZUOJADRMUBSG-LBPRGKRZSA-N
MW271.29 g/mol
LogP3.02
Rot. Bonds2

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

(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 40840512) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID40840512
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C16H14FNO2/c17-13-6-2-3-7-14(13)18-16(19)12-9-11-5-1-4-8-15(11)20-10-12/h1-8,12H,9-10H2,(H,18,19)/t12-/m0/s1
InChIKeyZZZUOJADRMUBSG-LBPRGKRZSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81304827
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675908
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 40880949
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 40840512) is (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccccc1F)[C@@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZZZUOJADRMUBSG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-6-2-3-7-14(13)18-16(19)12-9-11-5-1-4-8-15(11)20-10-12/h1-8,12H,9-10H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 271.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 40840512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).