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

C16H14FNO2 — CID 16648344

IUPACN-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1COc2ccccc2C1
InChIInChI=1S/C16H14FNO2/c17-13-5-3-6-14(9-13)18-16(19)12-8-11-4-1-2-7-15(11)20-10-12/h1-7,9,12H,8,10H2,(H,18,19)
InChIKeyDZIBPPPEUWGNNW-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.02
Rot. Bonds2

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

N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 16648344) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID16648344
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1COc2ccccc2C1
InChIInChI=1S/C16H14FNO2/c17-13-5-3-6-14(9-13)18-16(19)12-8-11-4-1-2-7-15(11)20-10-12/h1-7,9,12H,8,10H2,(H,18,19)
InChIKeyDZIBPPPEUWGNNW-UHFFFAOYSA-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

(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107334050
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441088
N-[3-(1,3-dithian-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041326
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
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
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
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

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 16648344) is N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1cccc(F)c1)C1COc2ccccc2C1.
What is the InChIKey of N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DZIBPPPEUWGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-5-3-6-14(9-13)18-16(19)12-8-11-4-1-2-7-15(11)20-10-12/h1-7,9,12H,8,10H2,(H,18,19).
What are the key properties of N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-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 N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 16648344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).