N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide

C18H22FNO2 — CID 111332009

IUPACN-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide
SMILESC#CCN(Cc1ccc(F)cc1)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H22FNO2/c1-2-12-20(14-15-6-8-16(19)9-7-15)17(21)13-18(22)10-4-3-5-11-18/h1,6-9,22H,3-5,10-14H2
InChIKeyIGISAMHFESDPDS-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.87
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide

N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide (PubChem CID 111332009) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide
PubChem CID111332009
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide
SMILESC#CCN(Cc1ccc(F)cc1)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H22FNO2/c1-2-12-20(14-15-6-8-16(19)9-7-15)17(21)13-18(22)10-4-3-5-11-18/h1,6-9,22H,3-5,10-14H2
InChIKeyIGISAMHFESDPDS-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide
CID 52780863
2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide
CID 111536336
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
tert-butyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]-4-oxobutyl]carbamate
CID 52782573
N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
CID 51097262
3,4,5-triethoxy-N-[(4-fluorophenyl)methyl]-N-prop-2-ynylbenzamide
CID 52780861
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536551
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430281
N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539040
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111331598
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide (CID 111332009) is N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide is C#CCN(Cc1ccc(F)cc1)C(=O)CC1(O)CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide?
The InChIKey is IGISAMHFESDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-12-20(14-15-6-8-16(19)9-7-15)17(21)13-18(22)10-4-3-5-11-18/h1,6-9,22H,3-5,10-14H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide?
N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide has a molecular weight of 303.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 111332009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).