N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide

C21H25FN2O2 — CID 30878247

IUPACN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1C
InChIInChI=1S/C21H25FN2O2/c1-15-4-3-5-19(16(15)2)21(25)23-14-20(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h3-9,20H,10-14H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyGSEDMPDTYNMDHB-FQEVSTJZSA-N
MW356.44 g/mol
LogP3.25
Rot. Bonds5

About N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide (PubChem CID 30878247) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
PubChem CID30878247
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1C
InChIInChI=1S/C21H25FN2O2/c1-15-4-3-5-19(16(15)2)21(25)23-14-20(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h3-9,20H,10-14H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyGSEDMPDTYNMDHB-FQEVSTJZSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647352
2,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647353
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
CID 86978865
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
CID 29223882
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 2314369
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide (CID 30878247) is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1C.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide?
The InChIKey is GSEDMPDTYNMDHB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15-4-3-5-19(16(15)2)21(25)23-14-20(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h3-9,20H,10-14H2,1-2H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide?
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide has a molecular weight of 356.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 30878247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).