(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide

C19H18FN3O2 — CID 52855519

IUPAC(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide
SMILESN#Cc1ccc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c(F)c1
InChIInChI=1S/C19H18FN3O2/c20-16-10-13(11-21)6-7-17(16)22-12-14-3-1-4-15(9-14)23-19(24)18-5-2-8-25-18/h1,3-4,6-7,9-10,18,22H,2,5,8,12H2,(H,23,24)/t18-/m1/s1
InChIKeyKQSVDCRTCQXPSU-GOSISDBHSA-N
MW339.37 g/mol
LogP3.43
Rot. Bonds5

About (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide (PubChem CID 52855519) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide
PubChem CID52855519
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide
SMILESN#Cc1ccc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c(F)c1
InChIInChI=1S/C19H18FN3O2/c20-16-10-13(11-21)6-7-17(16)22-12-14-3-1-4-15(9-14)23-19(24)18-5-2-8-25-18/h1,3-4,6-7,9-10,18,22H,2,5,8,12H2,(H,23,24)/t18-/m1/s1
InChIKeyKQSVDCRTCQXPSU-GOSISDBHSA-N
XLogP3.43
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133404937
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111265977
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122047903
N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide
CID 113231348
N-[3-[(4-cyanophenyl)methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134004304
N-[3-[[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111846552

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide (CID 52855519) is (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide is N#Cc1ccc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c(F)c1.
What is the InChIKey of (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is KQSVDCRTCQXPSU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-10-13(11-21)6-7-17(16)22-12-14-3-1-4-15(9-14)23-19(24)18-5-2-8-25-18/h1,3-4,6-7,9-10,18,22H,2,5,8,12H2,(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 52855519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).