N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide

C19H21FN2O2 — CID 97255039

IUPACN-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide
SMILESC[C@@H]1OCC[C@@H]1Nc1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C19H21FN2O2/c1-13-18(9-10-24-13)22-16-7-4-6-14(11-16)19(23)21-12-15-5-2-3-8-17(15)20/h2-8,11,13,18,22H,9-10,12H2,1H3,(H,21,23)/t13-,18-/m0/s1
InChIKeyFCBAHHDGPQJPGC-UGSOOPFHSA-N
MW328.39 g/mol
LogP3.35
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide

N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide (PubChem CID 97255039) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide
PubChem CID97255039
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide
SMILESC[C@@H]1OCC[C@@H]1Nc1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C19H21FN2O2/c1-13-18(9-10-24-13)22-16-7-4-6-14(11-16)19(23)21-12-15-5-2-3-8-17(15)20/h2-8,11,13,18,22H,9-10,12H2,1H3,(H,21,23)/t13-,18-/m0/s1
InChIKeyFCBAHHDGPQJPGC-UGSOOPFHSA-N
XLogP3.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[[(2R,3S)-2-methyloxolan-3-yl]amino]benzamide
CID 97255038
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9375024
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120923570
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide (CID 97255039) is N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide is C[C@@H]1OCC[C@@H]1Nc1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide?
The InChIKey is FCBAHHDGPQJPGC-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-18(9-10-24-13)22-16-7-4-6-14(11-16)19(23)21-12-15-5-2-3-8-17(15)20/h2-8,11,13,18,22H,9-10,12H2,1H3,(H,21,23)/t13-,18-/m0/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide?
N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide is sourced from PubChem (CID 97255039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).