N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C16H21FN2O2 — CID 111443732

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCC(CO)C1
InChIInChI=1S/C16H21FN2O2/c17-14-3-1-13(2-4-14)16(6-7-16)11-18-15(21)19-8-5-12(9-19)10-20/h1-4,12,20H,5-11H2,(H,18,21)
InChIKeyVXSSQYZXNILGBP-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.88
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111443732) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111443732
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCC(CO)C1
InChIInChI=1S/C16H21FN2O2/c17-14-3-1-13(2-4-14)16(6-7-16)11-18-15(21)19-8-5-12(9-19)10-20/h1-4,12,20H,5-11H2,(H,18,21)
InChIKeyVXSSQYZXNILGBP-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444284
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 94656646
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 113214326
3-(hydroxymethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 111443978
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 75520862
4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214295
(2S)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427973
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 155949071

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111443732) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(NCC1(c2ccc(F)cc2)CC1)N1CCC(CO)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is VXSSQYZXNILGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-3-1-13(2-4-14)16(6-7-16)11-18-15(21)19-8-5-12(9-19)10-20/h1-4,12,20H,5-11H2,(H,18,21).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).