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

C16H22ClFN2O2 — CID 24642416

IUPAC4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H22ClFN2O2/c1-11(2)9-20-5-6-22-13(10-20)8-19-16(21)14-4-3-12(17)7-15(14)18/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyKMOQSSNLRSWORG-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.57
Rot. Bonds5

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

4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 24642416) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID24642416
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H22ClFN2O2/c1-11(2)9-20-5-6-22-13(10-20)8-19-16(21)14-4-3-12(17)7-15(14)18/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyKMOQSSNLRSWORG-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide
CID 46576170
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56559807
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642349
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 24642416) is 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is CC(C)CN1CCOC(CNC(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is KMOQSSNLRSWORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-11(2)9-20-5-6-22-13(10-20)8-19-16(21)14-4-3-12(17)7-15(14)18/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 328.81 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 24642416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).