3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide

C23H27F2N3O3 — CID 10151232

IUPAC3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CC(=O)NC[C@H]2CN(Cc3ccc(F)c(F)c3)CCO2)c1
InChIInChI=1S/C23H27F2N3O3/c1-2-26-23(30)18-5-3-4-16(10-18)12-22(29)27-13-19-15-28(8-9-31-19)14-17-6-7-20(24)21(25)11-17/h3-7,10-11,19H,2,8-9,12-15H2,1H3,(H,26,30)(H,27,29)/t19-/m0/s1
InChIKeyTXXUEOPOZXTDDX-IBGZPJMESA-N
MW431.48 g/mol
LogP2.27
Rot. Bonds8

About 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide

3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide (PubChem CID 10151232) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide
PubChem CID10151232
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Name3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CC(=O)NC[C@H]2CN(Cc3ccc(F)c(F)c3)CCO2)c1
InChIInChI=1S/C23H27F2N3O3/c1-2-26-23(30)18-5-3-4-16(10-18)12-22(29)27-13-19-15-28(8-9-31-19)14-17-6-7-20(24)21(25)11-17/h3-7,10-11,19H,2,8-9,12-15H2,1H3,(H,26,30)(H,27,29)/t19-/m0/s1
InChIKeyTXXUEOPOZXTDDX-IBGZPJMESA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-[(2r,4s)-4-Ethoxypiperidin-2-Yl]-2-Hydroxyethyl}-5-Methyl-N,N-Dipropylisophthalamide
CID 11592145
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
N'-[(1s,2r)-2-[(2r,4s)-4-Benzylpiperidin-2-Yl]-1-(3,5-Difluorobenzyl)-2-Hydroxyethyl]-5-Methyl-N,N-Dipropylbenzene-1,3-Dicarboxamide
CID 24808496
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 10596575
N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 11585987
3,4-Dimethyl-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 1105927
N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 24979575
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide?
The IUPAC name of 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide (CID 10151232) is 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide?
The canonical SMILES for 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CC(=O)NC[C@H]2CN(Cc3ccc(F)c(F)c3)CCO2)c1.
What is the InChIKey of 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide?
The InChIKey is TXXUEOPOZXTDDX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-2-26-23(30)18-5-3-4-16(10-18)12-22(29)27-13-19-15-28(8-9-31-19)14-17-6-7-20(24)21(25)11-17/h3-7,10-11,19H,2,8-9,12-15H2,1H3,(H,26,30)(H,27,29)/t19-/m0/s1.
What are the key properties of 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide?
3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 431.48 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 10151232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).