4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

C24H31FN2O3 — CID 42849374

IUPAC4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC1CN(CC(O)c2ccccc2)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O3/c1-18(2)14-27(24(29)20-8-10-21(25)11-9-20)16-22-15-26(12-13-30-22)17-23(28)19-6-4-3-5-7-19/h3-11,18,22-23,28H,12-17H2,1-2H3
InChIKeyGFGCPBUPQIOTOS-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.36
Rot. Bonds8

About 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 42849374) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID42849374
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC1CN(CC(O)c2ccccc2)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O3/c1-18(2)14-27(24(29)20-8-10-21(25)11-9-20)16-22-15-26(12-13-30-22)17-23(28)19-6-4-3-5-7-19/h3-11,18,22-23,28H,12-17H2,1-2H3
InChIKeyGFGCPBUPQIOTOS-UHFFFAOYSA-N
XLogP3.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008
3-fluoro-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46060233
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99732290
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 93338082
4-fluoro-N-(2-methylpropyl)-N-[[4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 46059529
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99729601
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (CID 42849374) is 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CN(CC1CN(CC(O)c2ccccc2)CCO1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is GFGCPBUPQIOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-18(2)14-27(24(29)20-8-10-21(25)11-9-20)16-22-15-26(12-13-30-22)17-23(28)19-6-4-3-5-7-19/h3-11,18,22-23,28H,12-17H2,1-2H3.
What are the key properties of 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 414.52 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42849374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).