5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide

C16H15FN2O2 — CID 43705298

IUPAC5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide
SMILESNC(=O)c1cc(NC2CCOc3ccccc32)ccc1F
InChIInChI=1S/C16H15FN2O2/c17-13-6-5-10(9-12(13)16(18)20)19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9,14,19H,7-8H2,(H2,18,20)
InChIKeySULZKECJALWBKM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.86
Rot. Bonds3

About 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide

5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide (PubChem CID 43705298) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide
PubChem CID43705298
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide
SMILESNC(=O)c1cc(NC2CCOc3ccccc32)ccc1F
InChIInChI=1S/C16H15FN2O2/c17-13-6-5-10(9-12(13)16(18)20)19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9,14,19H,7-8H2,(H2,18,20)
InChIKeySULZKECJALWBKM-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(3,4-dihydro-2H-chromen-4-ylamino)benzoic acid
CID 62365403
1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone
CID 115577788
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572
2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
CID 43783999
3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285602
2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
N-(3,4-dihydro-2H-chromen-4-yl)-2-hydrazinylpyridin-4-amine
CID 113368245
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43719468
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide (CID 43705298) is 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide is NC(=O)c1cc(NC2CCOc3ccccc32)ccc1F.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide?
The InChIKey is SULZKECJALWBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-13-6-5-10(9-12(13)16(18)20)19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9,14,19H,7-8H2,(H2,18,20).
What are the key properties of 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide?
5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide has a molecular weight of 286.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide is sourced from PubChem (CID 43705298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).