N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide

C18H27FN2O — CID 71944374

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
SMILESCN(C)C1(CNC(=O)CCc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C18H27FN2O/c1-21(2)18(12-4-3-5-13-18)14-20-17(22)11-8-15-6-9-16(19)10-7-15/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,20,22)
InChIKeyGFVGDWZZWWFRBT-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.14
Rot. Bonds6

About N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 71944374) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID71944374
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
SMILESCN(C)C1(CNC(=O)CCc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C18H27FN2O/c1-21(2)18(12-4-3-5-13-18)14-20-17(22)11-8-15-6-9-16(19)10-7-15/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,20,22)
InChIKeyGFVGDWZZWWFRBT-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 18155359
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 83108125
3-(4-fluorophenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]propanamide
CID 91760690
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide (CID 71944374) is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide is CN(C)C1(CNC(=O)CCc2ccc(F)cc2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is GFVGDWZZWWFRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-21(2)18(12-4-3-5-13-18)14-20-17(22)11-8-15-6-9-16(19)10-7-15/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 306.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 71944374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).