N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide

C17H25FN2O2 — CID 86788751

IUPACN-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCC(CCc1cccc(F)c1)NC(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C17H25FN2O2/c1-12(6-7-14-4-3-5-16(18)10-14)19-17(22)20-9-8-15(11-20)13(2)21/h3-5,10,12-13,15,21H,6-9,11H2,1-2H3,(H,19,22)
InChIKeyJONBXRHPVNVVNB-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.56
Rot. Bonds5

About N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide

N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 86788751) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID86788751
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCC(CCc1cccc(F)c1)NC(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C17H25FN2O2/c1-12(6-7-14-4-3-5-16(18)10-14)19-17(22)20-9-8-15(11-20)13(2)21/h3-5,10,12-13,15,21H,6-9,11H2,1-2H3,(H,19,22)
InChIKeyJONBXRHPVNVVNB-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 98852154
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067
2-[[(2S)-4-(3-fluorophenyl)butan-2-yl]amino]-2-oxoacetic acid
CID 99784116
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2R)-1-(3-fluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 129378442
(3R)-N-[4-(3-fluorophenoxy)phenyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97351371
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
3-(3-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 112623821
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
[2-(3-fluorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023626
3-(3-fluorophenyl)-1-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 96576957
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119483635
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide (CID 86788751) is N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide is CC(CCc1cccc(F)c1)NC(=O)N1CCC(C(C)O)C1.
What is the InChIKey of N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is JONBXRHPVNVVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(6-7-14-4-3-5-16(18)10-14)19-17(22)20-9-8-15(11-20)13(2)21/h3-5,10,12-13,15,21H,6-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86788751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).