N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide

C18H25FN2O3 — CID 119034459

IUPACN-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide
SMILESCC(CO)(NC(=O)CNC(=O)c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C18H25FN2O3/c1-18(12-22,14-7-3-2-4-8-14)21-16(23)11-20-17(24)13-6-5-9-15(19)10-13/h5-6,9-10,14,22H,2-4,7-8,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyCFRFRBVQVYNBTB-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.00
Rot. Bonds6

About N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 119034459) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID119034459
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide
SMILESCC(CO)(NC(=O)CNC(=O)c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C18H25FN2O3/c1-18(12-22,14-7-3-2-4-8-14)21-16(23)11-20-17(24)13-6-5-9-15(19)10-13/h5-6,9-10,14,22H,2-4,7-8,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyCFRFRBVQVYNBTB-UHFFFAOYSA-N
XLogP2.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide
CID 75519763
N-(2-cyclohexyl-1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 91660588
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 103602596
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933
1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
CID 120515000
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545034

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide (CID 119034459) is N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide is CC(CO)(NC(=O)CNC(=O)c1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is CFRFRBVQVYNBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(12-22,14-7-3-2-4-8-14)21-16(23)11-20-17(24)13-6-5-9-15(19)10-13/h5-6,9-10,14,22H,2-4,7-8,11-12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 336.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 119034459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).