methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate

C19H20FN3O3 — CID 87035285

IUPACmethyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)N2CCCC2c2cccc(F)c2)c1
InChIInChI=1S/C19H20FN3O3/c1-26-19(25)22-16-8-3-7-15(12-16)21-18(24)23-10-4-9-17(23)13-5-2-6-14(20)11-13/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyOQIJHFFHGAYPTG-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.37
Rot. Bonds3

About methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate

methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate (PubChem CID 87035285) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
PubChem CID87035285
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Namemethyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)N2CCCC2c2cccc(F)c2)c1
InChIInChI=1S/C19H20FN3O3/c1-26-19(25)22-16-8-3-7-15(12-16)21-18(24)23-10-4-9-17(23)13-5-2-6-14(20)11-13/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyOQIJHFFHGAYPTG-UHFFFAOYSA-N
XLogP4.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
(2S)-N-(3-fluorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076892
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51694842
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 51694845
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate (CID 87035285) is methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)N2CCCC2c2cccc(F)c2)c1.
What is the InChIKey of methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate?
The InChIKey is OQIJHFFHGAYPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-26-19(25)22-16-8-3-7-15(12-16)21-18(24)23-10-4-9-17(23)13-5-2-6-14(20)11-13/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate?
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate has a molecular weight of 357.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 87035285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).