N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide

C18H24FNO2 — CID 111536551

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C18H24FNO2/c19-15-6-4-5-14(11-15)13-20(16-7-8-16)17(21)12-18(22)9-2-1-3-10-18/h4-6,11,16,22H,1-3,7-10,12-13H2
InChIKeyUBGJQCOZNQNQCY-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.40
Rot. Bonds5

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111536551) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111536551
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C18H24FNO2/c19-15-6-4-5-14(11-15)13-20(16-7-8-16)17(21)12-18(22)9-2-1-3-10-18/h4-6,11,16,22H,1-3,7-10,12-13H2
InChIKeyUBGJQCOZNQNQCY-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111536551) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide is O=C(CC1(O)CCCCC1)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is UBGJQCOZNQNQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-15-6-4-5-14(11-15)13-20(16-7-8-16)17(21)12-18(22)9-2-1-3-10-18/h4-6,11,16,22H,1-3,7-10,12-13H2.
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 305.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111536551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).