(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone

C18H18FNO — CID 822330

IUPAC(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
SMILESCc1cc(N2CCCC2)c(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H18FNO/c1-13-11-17(20-9-5-6-10-20)16(19)12-15(13)18(21)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyACUVLOOYWHWFKA-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.97
Rot. Bonds3

About (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone

(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone (PubChem CID 822330) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
PubChem CID822330
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
SMILESCc1cc(N2CCCC2)c(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H18FNO/c1-13-11-17(20-9-5-6-10-20)16(19)12-15(13)18(21)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyACUVLOOYWHWFKA-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone
CID 775594
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
CID 4202846
(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone
CID 102545495
[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-phenylmethanone
CID 5070114
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6154296
1-[5-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1152757
[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone
CID 173035941
1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1037110
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 3899831
3-(azepan-1-yl)-4-methylbenzoic acid
CID 79686827

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone?
The IUPAC name of (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone (CID 822330) is (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone.
What is the SMILES notation for (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone?
The canonical SMILES for (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone is Cc1cc(N2CCCC2)c(F)cc1C(=O)c1ccccc1.
What is the InChIKey of (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone?
The InChIKey is ACUVLOOYWHWFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-11-17(20-9-5-6-10-20)16(19)12-15(13)18(21)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3.
What are the key properties of (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone?
(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone has a molecular weight of 283.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone is sourced from PubChem (CID 822330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).