2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C20H22ClFN2O2 — CID 112506509

IUPAC2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1cccc(C(CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C20H22ClFN2O2/c1-14-4-2-5-15(12-14)18(24-8-10-26-11-9-24)13-23-20(25)19-16(21)6-3-7-17(19)22/h2-7,12,18H,8-11,13H2,1H3,(H,23,25)
InChIKeyVQPZKFLRHYJMMY-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide

2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 112506509) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID112506509
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1cccc(C(CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C20H22ClFN2O2/c1-14-4-2-5-15(12-14)18(24-8-10-26-11-9-24)13-23-20(25)19-16(21)6-3-7-17(19)22/h2-7,12,18H,8-11,13H2,1H3,(H,23,25)
InChIKeyVQPZKFLRHYJMMY-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide
CID 167784651
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7285631
2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide
CID 134404939
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7496717
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931663
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110304128
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55659861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 112506509) is 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide is Cc1cccc(C(CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is VQPZKFLRHYJMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-14-4-2-5-15(12-14)18(24-8-10-26-11-9-24)13-23-20(25)19-16(21)6-3-7-17(19)22/h2-7,12,18H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 376.86 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 112506509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).