N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide

C17H16FNO2 — CID 9091658

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1F
InChIInChI=1S/C17H16FNO2/c1-11-6-7-12(10-14(11)18)17(20)19-15-8-9-21-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyFTKURCXFZMSHSN-OAHLLOKOSA-N
MW285.32 g/mol
LogP3.39
Rot. Bonds2

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide (PubChem CID 9091658) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
PubChem CID9091658
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1F
InChIInChI=1S/C17H16FNO2/c1-11-6-7-12(10-14(11)18)17(20)19-15-8-9-21-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyFTKURCXFZMSHSN-OAHLLOKOSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17445598
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide (CID 9091658) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1F.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide?
The InChIKey is FTKURCXFZMSHSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-6-7-12(10-14(11)18)17(20)19-15-8-9-21-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide has a molecular weight of 285.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 9091658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).