N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide

C20H22FNO2 — CID 110025489

IUPACN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC1(c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-19(24,15-6-3-2-4-7-15)13-18(23)22-14-20(10-11-20)16-8-5-9-17(21)12-16/h2-9,12,24H,10-11,13-14H2,1H3,(H,22,23)
InChIKeyFGWDPIXCEOIYHZ-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.27
Rot. Bonds6

About N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110025489) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110025489
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC1(c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-19(24,15-6-3-2-4-7-15)13-18(23)22-14-20(10-11-20)16-8-5-9-17(21)12-16/h2-9,12,24H,10-11,13-14H2,1H3,(H,22,23)
InChIKeyFGWDPIXCEOIYHZ-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506642
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120611193
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024409
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide
CID 111638688
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide (CID 110025489) is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)NCC1(c2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is FGWDPIXCEOIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-19(24,15-6-3-2-4-7-15)13-18(23)22-14-20(10-11-20)16-8-5-9-17(21)12-16/h2-9,12,24H,10-11,13-14H2,1H3,(H,22,23).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide?
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 327.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).