N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C14H19FN2O2 — CID 119757906

IUPACN-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCNC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(2)19-11-3-4-13(12(15)7-11)17-14(18)10-5-6-16-8-10/h3-4,7,9-10,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyJCQQDPFDRDSDOR-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.16
Rot. Bonds4

About N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 119757906) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID119757906
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCNC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(2)19-11-3-4-13(12(15)7-11)17-14(18)10-5-6-16-8-10/h3-4,7,9-10,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyJCQQDPFDRDSDOR-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
3-fluoro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 63188319
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120928774
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
methyl 2,4-difluoro-5-(pyrrolidine-3-carbonylamino)benzoate
CID 63006548
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007077
methyl 4-fluoro-3-(pyrrolidine-3-carbonylamino)benzoate
CID 63007212

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 119757906) is N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CC(C)Oc1ccc(NC(=O)C2CCNC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is JCQQDPFDRDSDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(2)19-11-3-4-13(12(15)7-11)17-14(18)10-5-6-16-8-10/h3-4,7,9-10,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119757906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).