N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide

C16H20FNO2 — CID 110751256

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCOc2ccc(F)cc21)C1CCCCC1
InChIInChI=1S/C16H20FNO2/c17-12-6-7-15-13(10-12)14(8-9-20-15)18-16(19)11-4-2-1-3-5-11/h6-7,10-11,14H,1-5,8-9H2,(H,18,19)
InChIKeyVLAXWYUYLDWPCL-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.35
Rot. Bonds2

About N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide (PubChem CID 110751256) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
PubChem CID110751256
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCOc2ccc(F)cc21)C1CCCCC1
InChIInChI=1S/C16H20FNO2/c17-12-6-7-15-13(10-12)14(8-9-20-15)18-16(19)11-4-2-1-3-5-11/h6-7,10-11,14H,1-5,8-9H2,(H,18,19)
InChIKeyVLAXWYUYLDWPCL-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)cyclopentanecarboxamide
CID 110475821
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
(3R)-N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,1-dioxothiolane-3-carboxamide
CID 94486404
4-N-cyclopropyl-1-N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]piperidine-1,4-dicarboxamide
CID 94578869
1-cyclohexyl-3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)thiourea
CID 71887422
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
3-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957381
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983
1-(5-chloro-2-pyridinyl)-N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]piperidine-4-carboxamide
CID 94538673

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide (CID 110751256) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide is O=C(NC1CCOc2ccc(F)cc21)C1CCCCC1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide?
The InChIKey is VLAXWYUYLDWPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-12-6-7-15-13(10-12)14(8-9-20-15)18-16(19)11-4-2-1-3-5-11/h6-7,10-11,14H,1-5,8-9H2,(H,18,19).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide has a molecular weight of 277.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 110751256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).