N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide

C21H30FNO2 — CID 24967560

IUPACN-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(C2CCC(CCO)CC2)C2CC2)c(F)c1
InChIInChI=1S/C21H30FNO2/c1-14(2)16-5-10-19(20(22)13-16)21(25)23(18-8-9-18)17-6-3-15(4-7-17)11-12-24/h5,10,13-15,17-18,24H,3-4,6-9,11-12H2,1-2H3
InChIKeyIXCSBPUDNGSMPD-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.49
Rot. Bonds6

About N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide

N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide (PubChem CID 24967560) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
PubChem CID24967560
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC NameN-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(C2CCC(CCO)CC2)C2CC2)c(F)c1
InChIInChI=1S/C21H30FNO2/c1-14(2)16-5-10-19(20(22)13-16)21(25)23(18-8-9-18)17-6-3-15(4-7-17)11-12-24/h5,10,13-15,17-18,24H,3-4,6-9,11-12H2,1-2H3
InChIKeyIXCSBPUDNGSMPD-UHFFFAOYSA-N
XLogP4.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexyl benzamide derivative, 9
CID 15986762
N-[4-(2-carbamoylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 24824766
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
CID 24895661
4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
CID 2741225
N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylmethylbenzamide
CID 15987307
(S)-N-(trans-4-Fluorocyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
CID 15987476
(S)-N-(cis-4-Phenyl)cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
CID 24895554
N-cyclopropyl-N-((1s,4R)-4-hydroxy-4-methylcyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25016990
N-cyclopropyl-N-((1s,4R)-4-hydroxy-4-isopropylcyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 44564833
N-cyclopropyl-N-((1s,4R)-4-(cyclopropylmethyl)-4-hydroxycyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 44564834
N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 53321227

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide (CID 24967560) is N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)N(C2CCC(CCO)CC2)C2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide?
The InChIKey is IXCSBPUDNGSMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c1-14(2)16-5-10-19(20(22)13-16)21(25)23(18-8-9-18)17-6-3-15(4-7-17)11-12-24/h5,10,13-15,17-18,24H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide?
N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide has a molecular weight of 347.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 24967560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).