N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide

C19H24FNO3 — CID 19017813

IUPACN-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide
SMILESCN(CC1CCCCC1)C(=O)CC1COc2ccc(F)cc2C1=O
InChIInChI=1S/C19H24FNO3/c1-21(11-13-5-3-2-4-6-13)18(22)9-14-12-24-17-8-7-15(20)10-16(17)19(14)23/h7-8,10,13-14H,2-6,9,11-12H2,1H3
InChIKeyMTBYRUCBMHHOQD-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.45
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide

N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide (PubChem CID 19017813) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide
PubChem CID19017813
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide
SMILESCN(CC1CCCCC1)C(=O)CC1COc2ccc(F)cc2C1=O
InChIInChI=1S/C19H24FNO3/c1-21(11-13-5-3-2-4-6-13)18(22)9-14-12-24-17-8-7-15(20)10-16(17)19(14)23/h7-8,10,13-14H,2-6,9,11-12H2,1H3
InChIKeyMTBYRUCBMHHOQD-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-2,3-dihydrochromen-4-one
CID 175050793
1-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)propane-1,2-dione
CID 58859533
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47032646
3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride
CID 67849593
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
CID 110478649
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324558
N-(cyclohexylmethyl)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 78898190

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide (CID 19017813) is N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide is CN(CC1CCCCC1)C(=O)CC1COc2ccc(F)cc2C1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide?
The InChIKey is MTBYRUCBMHHOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-21(11-13-5-3-2-4-6-13)18(22)9-14-12-24-17-8-7-15(20)10-16(17)19(14)23/h7-8,10,13-14H,2-6,9,11-12H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide?
N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide has a molecular weight of 333.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-N-methylacetamide is sourced from PubChem (CID 19017813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).