N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide

C16H24FN3O2 — CID 42861324

IUPACN-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide
SMILESCN(C)CCN(CC1CNCCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FN3O2/c1-19(2)8-9-20(12-15-11-18-7-10-22-15)16(21)13-3-5-14(17)6-4-13/h3-6,15,18H,7-12H2,1-2H3
InChIKeyIHPCTLWQKIGNNF-UHFFFAOYSA-N
MW309.38 g/mol
LogP0.82
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide

N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide (PubChem CID 42861324) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide
PubChem CID42861324
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide
SMILESCN(C)CCN(CC1CNCCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FN3O2/c1-19(2)8-9-20(12-15-11-18-7-10-22-15)16(21)13-3-5-14(17)6-4-13/h3-6,15,18H,7-12H2,1-2H3
InChIKeyIHPCTLWQKIGNNF-UHFFFAOYSA-N
XLogP0.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338217
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 42862510
4-fluoro-2-hydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107016017
N-(furan-2-ylmethyl)-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 42803260
5-fluoro-N-methyl-N-(morpholin-2-ylmethyl)pyridine-3-carboxamide
CID 104786261
4-fluoro-N-(oxolan-2-ylmethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779448
N-(furan-2-ylmethyl)-N-(morpholin-2-ylmethyl)benzamide
CID 42803259
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 66429418
2,6-dihydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107690397

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide (CID 42861324) is N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide is CN(C)CCN(CC1CNCCO1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide?
The InChIKey is IHPCTLWQKIGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-19(2)8-9-20(12-15-11-18-7-10-22-15)16(21)13-3-5-14(17)6-4-13/h3-6,15,18H,7-12H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide?
N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide has a molecular weight of 309.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide is sourced from PubChem (CID 42861324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).