[4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C14H18F2N2O2 — CID 115967024

IUPAC[4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1c(F)cc(C(=O)N2CCC(CO)C2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-2-17-13-11(15)5-10(6-12(13)16)14(20)18-4-3-9(7-18)8-19/h5-6,9,17,19H,2-4,7-8H2,1H3
InChIKeyUSCKVHBPMJHNGC-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.85
Rot. Bonds4

About [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

[4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 115967024) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID115967024
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1c(F)cc(C(=O)N2CCC(CO)C2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-2-17-13-11(15)5-10(6-12(13)16)14(20)18-4-3-9(7-18)8-19/h5-6,9,17,19H,2-4,7-8H2,1H3
InChIKeyUSCKVHBPMJHNGC-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64583162
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100273
[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62649666
[4-(ethylamino)-3,5-difluorophenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 63183541
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
4,5-difluoro-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 115965042
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 55065222
[3-fluoro-2-(methylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628632
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 114801630

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 115967024) is [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCNc1c(F)cc(C(=O)N2CCC(CO)C2)cc1F.
What is the InChIKey of [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is USCKVHBPMJHNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-17-13-11(15)5-10(6-12(13)16)14(20)18-4-3-9(7-18)8-19/h5-6,9,17,19H,2-4,7-8H2,1H3.
What are the key properties of [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115967024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).