2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide

C16H13ClFNO2 — CID 51173221

IUPAC2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
SMILESO=C(NC1CCOc2ccccc21)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO2/c17-11-5-3-6-12(18)15(11)16(20)19-13-8-9-21-14-7-2-1-4-10(13)14/h1-7,13H,8-9H2,(H,19,20)
InChIKeyBPOOVRMHAKUHNK-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.73
Rot. Bonds2

About 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide

2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide (PubChem CID 51173221) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
PubChem CID51173221
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
SMILESO=C(NC1CCOc2ccccc21)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO2/c17-11-5-3-6-12(18)15(11)16(20)19-13-8-9-21-14-7-2-1-4-10(13)14/h1-7,13H,8-9H2,(H,19,20)
InChIKeyBPOOVRMHAKUHNK-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide
CID 104916741
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818
N-[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 8927888
N-[(2S)-1-(3,4-dihydro-2H-chromen-4-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55942917
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
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide (CID 51173221) is 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide is O=C(NC1CCOc2ccccc21)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide?
The InChIKey is BPOOVRMHAKUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-11-5-3-6-12(18)15(11)16(20)19-13-8-9-21-14-7-2-1-4-10(13)14/h1-7,13H,8-9H2,(H,19,20).
What are the key properties of 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide?
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide has a molecular weight of 305.74 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide is sourced from PubChem (CID 51173221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).