2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide

C19H22FN3O3 — CID 2571798

IUPAC2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCN(CC(=O)NCC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)F
InChIInChI=1S/C19H22FN3O3/c1-23(13-19(25)22-16-5-3-4-15(20)10-16)12-18(24)21-11-14-6-8-17(26-2)9-7-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRGOFEBKDSRXDNK-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.10
Rot. Bonds8

About 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2571798) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2571798
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCN(CC(=O)NCC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)F
InChIInChI=1S/C19H22FN3O3/c1-23(13-19(25)22-16-5-3-4-15(20)10-16)12-18(24)21-11-14-6-8-17(26-2)9-7-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRGOFEBKDSRXDNK-UHFFFAOYSA-N
XLogP2.10
TPSA70.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity455

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
Sembragiline
CID 10246762
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
N-(4-Methoxybenzyl)aniline
CID 408377
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
Ucm 765
CID 24749950
AAE-M-PBP-amine
CID 24763223
1-Ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-1H-pyrrole-2,5-dione
CID 24768118
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino)-N-(4-fluorophenyl)acetamide (34a)
CID 86766181
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-(4-fluorophenyl)acetamide (35a)
CID 86766188
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 2571798) is 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide is CN(CC(=O)NCC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)F.
What is the InChIKey of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is RGOFEBKDSRXDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-23(13-19(25)22-16-5-3-4-15(20)10-16)12-18(24)21-11-14-6-8-17(26-2)9-7-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2571798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).