N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide

C15H22FN3O2 — CID 43701547

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)C2CC(O)CN2)cc1F
InChIInChI=1S/C15H22FN3O2/c1-9(2)19(3)14-5-4-10(6-12(14)16)18-15(21)13-7-11(20)8-17-13/h4-6,9,11,13,17,20H,7-8H2,1-3H3,(H,18,21)
InChIKeyALAGUNLYYRGMPZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.33
Rot. Bonds4

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43701547) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43701547
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)C2CC(O)CN2)cc1F
InChIInChI=1S/C15H22FN3O2/c1-9(2)19(3)14-5-4-10(6-12(14)16)18-15(21)13-7-11(20)8-17-13/h4-6,9,11,13,17,20H,7-8H2,1-3H3,(H,18,21)
InChIKeyALAGUNLYYRGMPZ-UHFFFAOYSA-N
XLogP1.33
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide
CID 64618160
N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43708447
ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
CID 79200604
N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119700281
methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
CID 119775407
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 119742872
N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119754433
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 110894229

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide (CID 43701547) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)N(C)c1ccc(NC(=O)C2CC(O)CN2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ALAGUNLYYRGMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-9(2)19(3)14-5-4-10(6-12(14)16)18-15(21)13-7-11(20)8-17-13/h4-6,9,11,13,17,20H,7-8H2,1-3H3,(H,18,21).
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43701547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).