3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide

C19H18FN3O2 — CID 95633182

IUPAC3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1
InChIInChI=1S/C19H18FN3O2/c20-17-10-15(6-7-18(17)22-12-16-5-2-8-25-16)23-19(24)14-4-1-3-13(9-14)11-21/h1,3-4,6-7,9-10,16,22H,2,5,8,12H2,(H,23,24)/t16-/m1/s1
InChIKeyWPGFHNNUFLLMFW-MRXNPFEDSA-N
MW339.37 g/mol
LogP3.54
Rot. Bonds5

About 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide

3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide (PubChem CID 95633182) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
PubChem CID95633182
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1
InChIInChI=1S/C19H18FN3O2/c20-17-10-15(6-7-18(17)22-12-16-5-2-8-25-16)23-19(24)14-4-1-3-13(9-14)11-21/h1,3-4,6-7,9-10,16,22H,2,5,8,12H2,(H,23,24)/t16-/m1/s1
InChIKeyWPGFHNNUFLLMFW-MRXNPFEDSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
CID 56794269
2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 97309960
N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365824
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119892357
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
3-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methylbutanamide;dihydrochloride
CID 120504135

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide (CID 95633182) is 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1.
What is the InChIKey of 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide?
The InChIKey is WPGFHNNUFLLMFW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-17-10-15(6-7-18(17)22-12-16-5-2-8-25-16)23-19(24)14-4-1-3-13(9-14)11-21/h1,3-4,6-7,9-10,16,22H,2,5,8,12H2,(H,23,24)/t16-/m1/s1.
What are the key properties of 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide?
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide is sourced from PubChem (CID 95633182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).