N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide

C18H18F3N3O2 — CID 126439822

IUPACN-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NC[C@H]1CNCCO1)c1cccc(-c2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-2-5-15(24-16)12-3-1-4-13(9-12)17(25)23-11-14-10-22-7-8-26-14/h1-6,9,14,22H,7-8,10-11H2,(H,23,25)/t14-/m1/s1
InChIKeyIYBZKYBAJNBWPA-CQSZACIVSA-N
MW365.36 g/mol
LogP2.49
Rot. Bonds4

About N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide

N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 126439822) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID126439822
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NC[C@H]1CNCCO1)c1cccc(-c2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-2-5-15(24-16)12-3-1-4-13(9-12)17(25)23-11-14-10-22-7-8-26-14/h1-6,9,14,22H,7-8,10-11H2,(H,23,25)/t14-/m1/s1
InChIKeyIYBZKYBAJNBWPA-CQSZACIVSA-N
XLogP2.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
N-(morpholin-2-ylmethyl)pyridazine-4-carboxamide
CID 104671734
N-(morpholin-2-ylmethyl)pyrimidine-5-carboxamide
CID 102922356
N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 126427910
4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide
CID 126426495
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 61315356
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 167869800
3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 107956293
7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 115323833
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide (CID 126439822) is N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(NC[C@H]1CNCCO1)c1cccc(-c2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is IYBZKYBAJNBWPA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-2-5-15(24-16)12-3-1-4-13(9-12)17(25)23-11-14-10-22-7-8-26-14/h1-6,9,14,22H,7-8,10-11H2,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 365.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 126439822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).